USER MOD reduce.3.24.130724 H: found=0, std=0, add=846, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 83 THR OG1 : rot 79:sc= 0.273 USER MOD Set 1.2: A 114 TYR OH : rot 110:sc= 0.658 USER MOD Set 2.1: A 66 THR OG1 : rot 180:sc= 0.13 USER MOD Set 2.2: A 67 MET CE :methyl -126:sc= -1.1 (180deg=-1.8) USER MOD Set 2.3: A 124 GLN : amide:sc= -10.3! C(o=-11!,f=-11!) USER MOD Set 3.1: A 27 ASN : amide:sc= -2.57! K(o=-2.2!,f=-1.2) USER MOD Set 3.2: A 29 HIS : no HD1:sc= 0.415 K(o=-2.2,f=-4!) USER MOD Single : A 15 ASN : amide:sc= -0.948 K(o=-0.95,f=-3.1) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= -0.796 USER MOD Single : A 22 ASN : amide:sc= -2.42 X(o=-2.4,f=-2.1) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot -89:sc= 0.862 USER MOD Single : A 32 ASN : amide:sc= -4.95! C(o=-5!,f=-7.9!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc=-0.00216 K(o=-0.0022,f=-1.3!) USER MOD Single : A 41 HIS : no HD1:sc= -8.72! C(o=-8.7!,f=-10!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -1.01 K(o=-1,f=-1.7!) USER MOD Single : A 56 HIS : no HD1:sc= -0.328 K(o=-0.33,f=-1.6) USER MOD Single : A 58 TYR OH : rot 15:sc= -0.257 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot -70:sc= 0.685 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= -1.2 X(o=-1.2,f=-0.7) USER MOD Single : A 76 SER OG : rot -150:sc= -0.353 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.0788 USER MOD Single : A 81 GLN : amide:sc= -0.616 K(o=-0.62,f=-0.11) USER MOD Single : A 82 GLN : amide:sc= -2.28 K(o=-2.3,f=-2.8!) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 HIS : no HE2:sc= -27.8! C(o=-28!,f=-29!) USER MOD Single : A 87 HIS : no HD1:sc= -4.92! C(o=-4.9!,f=-3.7!) USER MOD Single : A 89 SER OG : rot 73:sc= 0.955 USER MOD Single : A 93 GLN : amide:sc= 0.0478 X(o=0.048,f=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 HIS : no HD1:sc= -15.2! C(o=-15!,f=-26!) USER MOD Single : A 100 ASN : amide:sc= -5.14! C(o=-5.1!,f=-6.3!) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 ASN : amide:sc= -10.5! C(o=-10!,f=-16!) USER MOD Single : A 107 ASN : amide:sc= -0.679 K(o=-0.68,f=0.13) USER MOD Single : A 116 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 129 HIS : no HD1:sc=-0.00265 X(o=-0.0027,f=0) USER MOD ----------------------------------------------------------------- ATOM 38 N CYS A 11 -0.227 20.965 -1.135 1.00 1.00 N ATOM 39 CA CYS A 11 -0.089 19.565 -0.633 1.00 1.00 C ATOM 40 C CYS A 11 -1.237 19.265 0.332 1.00 1.00 C ATOM 41 O CYS A 11 -1.970 20.148 0.731 1.00 1.00 O ATOM 42 CB CYS A 11 1.245 19.399 0.101 1.00 1.00 C ATOM 43 SG CYS A 11 1.638 20.918 1.001 1.00 1.00 S ATOM 0 HA CYS A 11 -0.119 18.875 -1.477 1.00 1.00 H new ATOM 0 HB2 CYS A 11 1.188 18.559 0.793 1.00 1.00 H new ATOM 0 HB3 CYS A 11 2.038 19.172 -0.612 1.00 1.00 H new ATOM 44 N ASP A 12 -1.403 18.027 0.710 1.00 1.00 N ATOM 45 CA ASP A 12 -2.508 17.682 1.648 1.00 1.00 C ATOM 46 C ASP A 12 -2.469 16.186 1.963 1.00 1.00 C ATOM 47 O ASP A 12 -2.998 15.373 1.232 1.00 1.00 O ATOM 48 CB ASP A 12 -3.851 18.031 1.003 1.00 1.00 C ATOM 49 CG ASP A 12 -3.873 17.520 -0.438 1.00 1.00 C ATOM 50 OD1 ASP A 12 -2.950 16.814 -0.810 1.00 1.00 O ATOM 51 OD2 ASP A 12 -4.813 17.842 -1.146 1.00 1.00 O ATOM 0 H ASP A 12 -0.824 17.242 0.411 1.00 1.00 H new ATOM 0 HA ASP A 12 -2.387 18.249 2.571 1.00 1.00 H new ATOM 0 HB2 ASP A 12 -4.667 17.584 1.571 1.00 1.00 H new ATOM 0 HB3 ASP A 12 -4.005 19.110 1.020 1.00 1.00 H new ATOM 52 N CYS A 13 -1.852 15.816 3.051 1.00 1.00 N ATOM 53 CA CYS A 13 -1.785 14.373 3.416 1.00 1.00 C ATOM 54 C CYS A 13 -2.497 14.163 4.759 1.00 1.00 C ATOM 55 O CYS A 13 -3.242 15.009 5.211 1.00 1.00 O ATOM 56 CB CYS A 13 -0.322 13.945 3.539 1.00 1.00 C ATOM 57 SG CYS A 13 0.558 14.350 2.010 1.00 1.00 S ATOM 0 H CYS A 13 -1.391 16.451 3.703 1.00 1.00 H new ATOM 0 HA CYS A 13 -2.271 13.775 2.645 1.00 1.00 H new ATOM 0 HB2 CYS A 13 0.145 14.450 4.384 1.00 1.00 H new ATOM 0 HB3 CYS A 13 -0.261 12.874 3.733 1.00 1.00 H new ATOM 58 N LEU A 14 -2.279 13.045 5.400 1.00 1.00 N ATOM 59 CA LEU A 14 -2.951 12.797 6.706 1.00 1.00 C ATOM 60 C LEU A 14 -2.051 11.923 7.583 1.00 1.00 C ATOM 61 O LEU A 14 -0.988 11.502 7.172 1.00 1.00 O ATOM 62 CB LEU A 14 -4.282 12.079 6.466 1.00 1.00 C ATOM 63 CG LEU A 14 -5.422 13.098 6.458 1.00 1.00 C ATOM 64 CD1 LEU A 14 -6.357 12.815 5.281 1.00 1.00 C ATOM 65 CD2 LEU A 14 -6.207 12.986 7.765 1.00 1.00 C ATOM 0 H LEU A 14 -1.667 12.296 5.076 1.00 1.00 H new ATOM 0 HA LEU A 14 -3.136 13.747 7.207 1.00 1.00 H new ATOM 0 HB2 LEU A 14 -4.252 11.545 5.516 1.00 1.00 H new ATOM 0 HB3 LEU A 14 -4.451 11.336 7.245 1.00 1.00 H new ATOM 0 HG LEU A 14 -5.010 14.102 6.359 1.00 1.00 H new ATOM 0 HD11 LEU A 14 -7.168 13.543 5.278 1.00 1.00 H new ATOM 0 HD12 LEU A 14 -5.799 12.889 4.347 1.00 1.00 H new ATOM 0 HD13 LEU A 14 -6.770 11.811 5.378 1.00 1.00 H new ATOM 0 HD21 LEU A 14 -7.021 13.711 7.764 1.00 1.00 H new ATOM 0 HD22 LEU A 14 -6.617 11.980 7.858 1.00 1.00 H new ATOM 0 HD23 LEU A 14 -5.544 13.187 8.606 1.00 1.00 H new ATOM 66 N ASN A 15 -2.468 11.647 8.789 1.00 1.00 N ATOM 67 CA ASN A 15 -1.635 10.802 9.689 1.00 1.00 C ATOM 68 C ASN A 15 -0.249 11.432 9.841 1.00 1.00 C ATOM 69 O ASN A 15 0.734 10.751 10.051 1.00 1.00 O ATOM 70 CB ASN A 15 -1.495 9.401 9.088 1.00 1.00 C ATOM 71 CG ASN A 15 -2.694 8.546 9.501 1.00 1.00 C ATOM 72 OD1 ASN A 15 -3.829 8.944 9.326 1.00 1.00 O ATOM 73 ND2 ASN A 15 -2.490 7.378 10.047 1.00 1.00 N ATOM 0 H ASN A 15 -3.349 11.970 9.189 1.00 1.00 H new ATOM 0 HA ASN A 15 -2.112 10.732 10.667 1.00 1.00 H new ATOM 0 HB2 ASN A 15 -1.437 9.464 8.001 1.00 1.00 H new ATOM 0 HB3 ASN A 15 -0.570 8.938 9.430 1.00 1.00 H new ATOM 0 HD21 ASN A 15 -3.283 6.800 10.326 1.00 1.00 H new ATOM 0 HD22 ASN A 15 -1.538 7.043 10.194 1.00 1.00 H new ATOM 74 N GLY A 16 -0.164 12.730 9.736 1.00 1.00 N ATOM 75 CA GLY A 16 1.158 13.405 9.875 1.00 1.00 C ATOM 76 C GLY A 16 1.931 13.298 8.560 1.00 1.00 C ATOM 77 O GLY A 16 3.143 13.205 8.547 1.00 1.00 O ATOM 0 H GLY A 16 -0.953 13.352 9.560 1.00 1.00 H new ATOM 0 HA2 GLY A 16 1.016 14.453 10.141 1.00 1.00 H new ATOM 0 HA3 GLY A 16 1.729 12.946 10.682 1.00 1.00 H new ATOM 78 N GLY A 17 1.243 13.312 7.451 1.00 1.00 N ATOM 79 CA GLY A 17 1.943 13.212 6.139 1.00 1.00 C ATOM 80 C GLY A 17 2.967 14.342 6.021 1.00 1.00 C ATOM 81 O GLY A 17 3.290 15.003 6.988 1.00 1.00 O ATOM 0 H GLY A 17 0.227 13.388 7.397 1.00 1.00 H new ATOM 0 HA2 GLY A 17 2.440 12.246 6.052 1.00 1.00 H new ATOM 0 HA3 GLY A 17 1.222 13.274 5.324 1.00 1.00 H new ATOM 82 N THR A 18 3.483 14.569 4.843 1.00 1.00 N ATOM 83 CA THR A 18 4.486 15.656 4.668 1.00 1.00 C ATOM 84 C THR A 18 4.001 16.634 3.595 1.00 1.00 C ATOM 85 O THR A 18 3.796 16.267 2.454 1.00 1.00 O ATOM 86 CB THR A 18 5.822 15.051 4.239 1.00 1.00 C ATOM 87 OG1 THR A 18 6.373 14.282 5.290 1.00 1.00 O ATOM 88 CG2 THR A 18 6.766 16.191 3.858 1.00 1.00 C ATOM 0 H THR A 18 3.253 14.049 3.996 1.00 1.00 H new ATOM 0 HA THR A 18 4.613 16.187 5.611 1.00 1.00 H new ATOM 0 HB THR A 18 5.675 14.391 3.384 1.00 1.00 H new ATOM 0 HG1 THR A 18 7.228 13.899 5.002 1.00 1.00 H new ATOM 0 HG21 THR A 18 7.727 15.780 3.548 1.00 1.00 H new ATOM 0 HG22 THR A 18 6.334 16.762 3.036 1.00 1.00 H new ATOM 0 HG23 THR A 18 6.912 16.845 4.717 1.00 1.00 H new ATOM 89 N CYS A 19 3.819 17.876 3.950 1.00 1.00 N ATOM 90 CA CYS A 19 3.352 18.880 2.955 1.00 1.00 C ATOM 91 C CYS A 19 4.551 19.377 2.143 1.00 1.00 C ATOM 92 O CYS A 19 5.332 20.184 2.607 1.00 1.00 O ATOM 93 CB CYS A 19 2.714 20.054 3.698 1.00 1.00 C ATOM 94 SG CYS A 19 1.143 20.497 2.913 1.00 1.00 S ATOM 0 H CYS A 19 3.974 18.239 4.890 1.00 1.00 H new ATOM 0 HA CYS A 19 2.621 18.430 2.284 1.00 1.00 H new ATOM 0 HB2 CYS A 19 2.547 19.788 4.742 1.00 1.00 H new ATOM 0 HB3 CYS A 19 3.389 20.910 3.691 1.00 1.00 H new ATOM 95 N VAL A 20 4.710 18.898 0.939 1.00 1.00 N ATOM 96 CA VAL A 20 5.868 19.344 0.111 1.00 1.00 C ATOM 97 C VAL A 20 5.367 20.167 -1.078 1.00 1.00 C ATOM 98 O VAL A 20 4.191 20.187 -1.380 1.00 1.00 O ATOM 99 CB VAL A 20 6.627 18.120 -0.402 1.00 1.00 C ATOM 100 CG1 VAL A 20 7.156 17.312 0.784 1.00 1.00 C ATOM 101 CG2 VAL A 20 5.682 17.248 -1.232 1.00 1.00 C ATOM 0 H VAL A 20 4.091 18.220 0.494 1.00 1.00 H new ATOM 0 HA VAL A 20 6.531 19.958 0.720 1.00 1.00 H new ATOM 0 HB VAL A 20 7.463 18.444 -1.021 1.00 1.00 H new ATOM 0 HG11 VAL A 20 7.697 16.440 0.418 1.00 1.00 H new ATOM 0 HG12 VAL A 20 7.828 17.933 1.377 1.00 1.00 H new ATOM 0 HG13 VAL A 20 6.321 16.987 1.404 1.00 1.00 H new ATOM 0 HG21 VAL A 20 6.221 16.375 -1.599 1.00 1.00 H new ATOM 0 HG22 VAL A 20 4.846 16.924 -0.611 1.00 1.00 H new ATOM 0 HG23 VAL A 20 5.305 17.823 -2.078 1.00 1.00 H new ATOM 102 N SER A 21 6.254 20.844 -1.755 1.00 1.00 N ATOM 103 CA SER A 21 5.832 21.664 -2.925 1.00 1.00 C ATOM 104 C SER A 21 7.053 22.004 -3.781 1.00 1.00 C ATOM 105 O SER A 21 8.113 22.310 -3.271 1.00 1.00 O ATOM 106 CB SER A 21 5.179 22.956 -2.434 1.00 1.00 C ATOM 107 OG SER A 21 4.787 22.797 -1.077 1.00 1.00 O ATOM 0 H SER A 21 7.253 20.864 -1.548 1.00 1.00 H new ATOM 0 HA SER A 21 5.117 21.099 -3.523 1.00 1.00 H new ATOM 0 HB2 SER A 21 5.877 23.788 -2.528 1.00 1.00 H new ATOM 0 HB3 SER A 21 4.312 23.196 -3.049 1.00 1.00 H new ATOM 0 HG SER A 21 4.369 23.624 -0.758 1.00 1.00 H new ATOM 108 N ASN A 22 6.915 21.955 -5.078 1.00 1.00 N ATOM 109 CA ASN A 22 8.064 22.274 -5.962 1.00 1.00 C ATOM 110 C ASN A 22 8.003 23.756 -6.352 1.00 1.00 C ATOM 111 O ASN A 22 7.043 24.441 -6.063 1.00 1.00 O ATOM 112 CB ASN A 22 7.975 21.404 -7.213 1.00 1.00 C ATOM 113 CG ASN A 22 9.289 20.645 -7.416 1.00 1.00 C ATOM 114 OD1 ASN A 22 9.293 19.547 -7.936 1.00 1.00 O ATOM 115 ND2 ASN A 22 10.414 21.183 -7.028 1.00 1.00 N ATOM 0 H ASN A 22 6.052 21.707 -5.562 1.00 1.00 H new ATOM 0 HA ASN A 22 9.004 22.078 -5.446 1.00 1.00 H new ATOM 0 HB2 ASN A 22 7.149 20.699 -7.118 1.00 1.00 H new ATOM 0 HB3 ASN A 22 7.766 22.025 -8.084 1.00 1.00 H new ATOM 0 HD21 ASN A 22 11.292 20.682 -7.162 1.00 1.00 H new ATOM 0 HD22 ASN A 22 10.415 22.105 -6.591 1.00 1.00 H new ATOM 116 N LYS A 23 9.026 24.261 -6.988 1.00 1.00 N ATOM 117 CA LYS A 23 9.027 25.700 -7.371 1.00 1.00 C ATOM 118 C LYS A 23 9.752 25.897 -8.706 1.00 1.00 C ATOM 119 O LYS A 23 9.957 27.008 -9.151 1.00 1.00 O ATOM 120 CB LYS A 23 9.764 26.478 -6.292 1.00 1.00 C ATOM 121 CG LYS A 23 9.145 27.869 -6.138 1.00 1.00 C ATOM 122 CD LYS A 23 9.790 28.587 -4.950 1.00 1.00 C ATOM 123 CE LYS A 23 8.814 29.623 -4.387 1.00 1.00 C ATOM 124 NZ LYS A 23 8.471 29.270 -2.980 1.00 1.00 N ATOM 0 H LYS A 23 9.860 23.739 -7.258 1.00 1.00 H new ATOM 0 HA LYS A 23 8.000 26.050 -7.473 1.00 1.00 H new ATOM 0 HB2 LYS A 23 9.713 25.941 -5.345 1.00 1.00 H new ATOM 0 HB3 LYS A 23 10.819 26.567 -6.552 1.00 1.00 H new ATOM 0 HG2 LYS A 23 9.293 28.447 -7.050 1.00 1.00 H new ATOM 0 HG3 LYS A 23 8.069 27.785 -5.985 1.00 1.00 H new ATOM 0 HD2 LYS A 23 10.057 27.866 -4.177 1.00 1.00 H new ATOM 0 HD3 LYS A 23 10.713 29.074 -5.264 1.00 1.00 H new ATOM 0 HE2 LYS A 23 9.260 30.617 -4.425 1.00 1.00 H new ATOM 0 HE3 LYS A 23 7.910 29.655 -4.996 1.00 1.00 H new ATOM 0 HZ1 LYS A 23 7.808 29.974 -2.597 1.00 1.00 H new ATOM 0 HZ2 LYS A 23 8.029 28.329 -2.956 1.00 1.00 H new ATOM 0 HZ3 LYS A 23 9.337 29.261 -2.404 1.00 1.00 H new ATOM 125 N TYR A 24 10.153 24.833 -9.340 1.00 1.00 N ATOM 126 CA TYR A 24 10.877 24.970 -10.637 1.00 1.00 C ATOM 127 C TYR A 24 9.887 24.856 -11.800 1.00 1.00 C ATOM 128 O TYR A 24 10.275 24.770 -12.948 1.00 1.00 O ATOM 129 CB TYR A 24 11.927 23.863 -10.752 1.00 1.00 C ATOM 130 CG TYR A 24 12.938 24.009 -9.639 1.00 1.00 C ATOM 131 CD1 TYR A 24 13.679 25.192 -9.516 1.00 1.00 C ATOM 132 CD2 TYR A 24 13.135 22.960 -8.730 1.00 1.00 C ATOM 133 CE1 TYR A 24 14.617 25.326 -8.483 1.00 1.00 C ATOM 134 CE2 TYR A 24 14.073 23.095 -7.698 1.00 1.00 C ATOM 135 CZ TYR A 24 14.814 24.278 -7.574 1.00 1.00 C ATOM 136 OH TYR A 24 15.738 24.410 -6.558 1.00 1.00 O ATOM 0 H TYR A 24 10.012 23.875 -9.019 1.00 1.00 H new ATOM 0 HA TYR A 24 11.365 25.944 -10.675 1.00 1.00 H new ATOM 0 HB2 TYR A 24 11.448 22.886 -10.696 1.00 1.00 H new ATOM 0 HB3 TYR A 24 12.425 23.919 -11.720 1.00 1.00 H new ATOM 0 HD1 TYR A 24 13.528 26.000 -10.217 1.00 1.00 H new ATOM 0 HD2 TYR A 24 12.564 22.048 -8.825 1.00 1.00 H new ATOM 0 HE1 TYR A 24 15.188 26.238 -8.388 1.00 1.00 H new ATOM 0 HE2 TYR A 24 14.225 22.287 -6.998 1.00 1.00 H new ATOM 0 HH TYR A 24 15.749 23.593 -6.017 1.00 1.00 H new ATOM 137 N PHE A 25 8.615 24.857 -11.515 1.00 1.00 N ATOM 138 CA PHE A 25 7.607 24.752 -12.609 1.00 1.00 C ATOM 139 C PHE A 25 6.379 25.585 -12.245 1.00 1.00 C ATOM 140 O PHE A 25 5.291 25.344 -12.728 1.00 1.00 O ATOM 141 CB PHE A 25 7.182 23.292 -12.796 1.00 1.00 C ATOM 142 CG PHE A 25 8.292 22.365 -12.360 1.00 1.00 C ATOM 143 CD1 PHE A 25 8.625 22.259 -11.003 1.00 1.00 C ATOM 144 CD2 PHE A 25 8.983 21.603 -13.312 1.00 1.00 C ATOM 145 CE1 PHE A 25 9.647 21.393 -10.599 1.00 1.00 C ATOM 146 CE2 PHE A 25 10.007 20.738 -12.906 1.00 1.00 C ATOM 147 CZ PHE A 25 10.338 20.633 -11.549 1.00 1.00 C ATOM 0 H PHE A 25 8.229 24.926 -10.573 1.00 1.00 H new ATOM 0 HA PHE A 25 8.049 25.120 -13.535 1.00 1.00 H new ATOM 0 HB2 PHE A 25 6.281 23.091 -12.216 1.00 1.00 H new ATOM 0 HB3 PHE A 25 6.935 23.109 -13.842 1.00 1.00 H new ATOM 0 HD1 PHE A 25 8.093 22.846 -10.269 1.00 1.00 H new ATOM 0 HD2 PHE A 25 8.726 21.683 -14.358 1.00 1.00 H new ATOM 0 HE1 PHE A 25 9.903 21.311 -9.553 1.00 1.00 H new ATOM 0 HE2 PHE A 25 10.541 20.152 -13.639 1.00 1.00 H new ATOM 0 HZ PHE A 25 11.127 19.965 -11.236 1.00 1.00 H new ATOM 148 N SER A 26 6.551 26.559 -11.391 1.00 1.00 N ATOM 149 CA SER A 26 5.403 27.420 -10.975 1.00 1.00 C ATOM 150 C SER A 26 4.613 26.729 -9.858 1.00 1.00 C ATOM 151 O SER A 26 4.212 27.353 -8.896 1.00 1.00 O ATOM 152 CB SER A 26 4.483 27.678 -12.170 1.00 1.00 C ATOM 153 OG SER A 26 3.404 26.754 -12.140 1.00 1.00 O ATOM 0 H SER A 26 7.444 26.797 -10.960 1.00 1.00 H new ATOM 0 HA SER A 26 5.789 28.371 -10.609 1.00 1.00 H new ATOM 0 HB2 SER A 26 4.103 28.699 -12.137 1.00 1.00 H new ATOM 0 HB3 SER A 26 5.040 27.574 -13.101 1.00 1.00 H new ATOM 0 HG SER A 26 3.656 25.940 -12.625 1.00 1.00 H new ATOM 154 N ASN A 27 4.385 25.446 -9.972 1.00 1.00 N ATOM 155 CA ASN A 27 3.621 24.732 -8.909 1.00 1.00 C ATOM 156 C ASN A 27 3.607 23.228 -9.200 1.00 1.00 C ATOM 157 O ASN A 27 2.811 22.745 -9.980 1.00 1.00 O ATOM 158 CB ASN A 27 2.184 25.256 -8.875 1.00 1.00 C ATOM 159 CG ASN A 27 2.001 26.171 -7.663 1.00 1.00 C ATOM 160 OD1 ASN A 27 1.874 25.704 -6.549 1.00 1.00 O ATOM 161 ND2 ASN A 27 1.982 27.464 -7.835 1.00 1.00 N ATOM 0 H ASN A 27 4.694 24.865 -10.752 1.00 1.00 H new ATOM 0 HA ASN A 27 4.098 24.908 -7.945 1.00 1.00 H new ATOM 0 HB2 ASN A 27 1.963 25.802 -9.792 1.00 1.00 H new ATOM 0 HB3 ASN A 27 1.483 24.423 -8.824 1.00 1.00 H new ATOM 0 HD21 ASN A 27 1.860 28.083 -7.034 1.00 1.00 H new ATOM 0 HD22 ASN A 27 2.089 27.856 -8.771 1.00 1.00 H new ATOM 162 N ILE A 28 4.477 22.483 -8.572 1.00 1.00 N ATOM 163 CA ILE A 28 4.507 21.010 -8.805 1.00 1.00 C ATOM 164 C ILE A 28 4.601 20.288 -7.460 1.00 1.00 C ATOM 165 O ILE A 28 5.475 19.474 -7.239 1.00 1.00 O ATOM 166 CB ILE A 28 5.716 20.649 -9.672 1.00 1.00 C ATOM 167 CG1 ILE A 28 5.513 21.221 -11.074 1.00 1.00 C ATOM 168 CG2 ILE A 28 5.852 19.127 -9.757 1.00 1.00 C ATOM 169 CD1 ILE A 28 4.437 20.417 -11.807 1.00 1.00 C ATOM 0 H ILE A 28 5.168 22.831 -7.908 1.00 1.00 H new ATOM 0 HA ILE A 28 3.596 20.704 -9.319 1.00 1.00 H new ATOM 0 HB ILE A 28 6.621 21.066 -9.230 1.00 1.00 H new ATOM 0 HG12 ILE A 28 5.218 22.269 -11.011 1.00 1.00 H new ATOM 0 HG13 ILE A 28 6.449 21.186 -11.631 1.00 1.00 H new ATOM 0 HG21 ILE A 28 6.713 18.873 -10.375 1.00 1.00 H new ATOM 0 HG22 ILE A 28 5.990 18.718 -8.756 1.00 1.00 H new ATOM 0 HG23 ILE A 28 4.950 18.705 -10.201 1.00 1.00 H new ATOM 0 HD11 ILE A 28 4.294 20.827 -12.807 1.00 1.00 H new ATOM 0 HD12 ILE A 28 4.750 19.376 -11.883 1.00 1.00 H new ATOM 0 HD13 ILE A 28 3.500 20.475 -11.254 1.00 1.00 H new ATOM 170 N HIS A 29 3.707 20.585 -6.558 1.00 1.00 N ATOM 171 CA HIS A 29 3.743 19.925 -5.223 1.00 1.00 C ATOM 172 C HIS A 29 3.180 18.506 -5.330 1.00 1.00 C ATOM 173 O HIS A 29 2.877 18.025 -6.404 1.00 1.00 O ATOM 174 CB HIS A 29 2.897 20.731 -4.237 1.00 1.00 C ATOM 175 CG HIS A 29 1.570 21.058 -4.865 1.00 1.00 C ATOM 176 ND1 HIS A 29 1.375 22.197 -5.631 1.00 1.00 N ATOM 177 CD2 HIS A 29 0.362 20.405 -4.851 1.00 1.00 C ATOM 178 CE1 HIS A 29 0.095 22.195 -6.042 1.00 1.00 C ATOM 179 NE2 HIS A 29 -0.568 21.125 -5.594 1.00 1.00 N ATOM 0 H HIS A 29 2.951 21.258 -6.688 1.00 1.00 H new ATOM 0 HA HIS A 29 4.774 19.878 -4.873 1.00 1.00 H new ATOM 0 HB2 HIS A 29 2.747 20.161 -3.320 1.00 1.00 H new ATOM 0 HB3 HIS A 29 3.417 21.649 -3.961 1.00 1.00 H new ATOM 0 HD2 HIS A 29 0.164 19.474 -4.341 1.00 1.00 H new ATOM 0 HE1 HIS A 29 -0.344 22.965 -6.659 1.00 1.00 H new ATOM 0 HE2 HIS A 29 -1.546 20.887 -5.761 1.00 1.00 H new ATOM 180 N TRP A 30 3.037 17.834 -4.219 1.00 1.00 N ATOM 181 CA TRP A 30 2.493 16.448 -4.249 1.00 1.00 C ATOM 182 C TRP A 30 2.462 15.885 -2.826 1.00 1.00 C ATOM 183 O TRP A 30 3.428 15.969 -2.094 1.00 1.00 O ATOM 184 CB TRP A 30 3.381 15.568 -5.133 1.00 1.00 C ATOM 185 CG TRP A 30 4.740 15.449 -4.522 1.00 1.00 C ATOM 186 CD1 TRP A 30 5.074 14.608 -3.515 1.00 1.00 C ATOM 187 CD2 TRP A 30 5.952 16.175 -4.866 1.00 1.00 C ATOM 188 NE1 TRP A 30 6.415 14.778 -3.217 1.00 1.00 N ATOM 189 CE2 TRP A 30 7.000 15.733 -4.024 1.00 1.00 C ATOM 190 CE3 TRP A 30 6.237 17.167 -5.820 1.00 1.00 C ATOM 191 CZ2 TRP A 30 8.289 16.260 -4.127 1.00 1.00 C ATOM 192 CZ3 TRP A 30 7.533 17.701 -5.927 1.00 1.00 C ATOM 193 CH2 TRP A 30 8.557 17.248 -5.081 1.00 1.00 C ATOM 0 H TRP A 30 3.274 18.187 -3.292 1.00 1.00 H new ATOM 0 HA TRP A 30 1.482 16.461 -4.656 1.00 1.00 H new ATOM 0 HB2 TRP A 30 2.934 14.580 -5.245 1.00 1.00 H new ATOM 0 HB3 TRP A 30 3.457 15.998 -6.132 1.00 1.00 H new ATOM 0 HD1 TRP A 30 4.404 13.918 -3.025 1.00 1.00 H new ATOM 0 HE1 TRP A 30 6.910 14.261 -2.490 1.00 1.00 H new ATOM 0 HE3 TRP A 30 5.455 17.521 -6.475 1.00 1.00 H new ATOM 0 HZ2 TRP A 30 9.074 15.907 -3.475 1.00 1.00 H new ATOM 0 HZ3 TRP A 30 7.741 18.463 -6.663 1.00 1.00 H new ATOM 0 HH2 TRP A 30 9.551 17.662 -5.166 1.00 1.00 H new ATOM 194 N CYS A 31 1.359 15.313 -2.427 1.00 1.00 N ATOM 195 CA CYS A 31 1.271 14.747 -1.052 1.00 1.00 C ATOM 196 C CYS A 31 2.500 13.877 -0.784 1.00 1.00 C ATOM 197 O CYS A 31 2.719 12.877 -1.438 1.00 1.00 O ATOM 198 CB CYS A 31 0.005 13.894 -0.930 1.00 1.00 C ATOM 199 SG CYS A 31 -0.877 14.333 0.588 1.00 1.00 S ATOM 0 H CYS A 31 0.516 15.213 -2.993 1.00 1.00 H new ATOM 0 HA CYS A 31 1.232 15.558 -0.325 1.00 1.00 H new ATOM 0 HB2 CYS A 31 -0.638 14.053 -1.796 1.00 1.00 H new ATOM 0 HB3 CYS A 31 0.267 12.836 -0.918 1.00 1.00 H new ATOM 200 N ASN A 32 3.306 14.251 0.171 1.00 1.00 N ATOM 201 CA ASN A 32 4.521 13.447 0.476 1.00 1.00 C ATOM 202 C ASN A 32 4.220 12.474 1.618 1.00 1.00 C ATOM 203 O ASN A 32 4.567 12.713 2.758 1.00 1.00 O ATOM 204 CB ASN A 32 5.660 14.382 0.888 1.00 1.00 C ATOM 205 CG ASN A 32 6.847 13.556 1.388 1.00 1.00 C ATOM 206 OD1 ASN A 32 6.783 12.343 1.433 1.00 1.00 O ATOM 207 ND2 ASN A 32 7.937 14.165 1.768 1.00 1.00 N ATOM 0 H ASN A 32 3.175 15.079 0.753 1.00 1.00 H new ATOM 0 HA ASN A 32 4.815 12.884 -0.410 1.00 1.00 H new ATOM 0 HB2 ASN A 32 5.963 14.997 0.041 1.00 1.00 H new ATOM 0 HB3 ASN A 32 5.321 15.061 1.670 1.00 1.00 H new ATOM 0 HD21 ASN A 32 8.734 13.623 2.102 1.00 1.00 H new ATOM 0 HD22 ASN A 32 7.992 15.183 1.731 1.00 1.00 H new ATOM 208 N CYS A 33 3.581 11.376 1.322 1.00 1.00 N ATOM 209 CA CYS A 33 3.264 10.387 2.389 1.00 1.00 C ATOM 210 C CYS A 33 3.961 9.060 2.070 1.00 1.00 C ATOM 211 O CYS A 33 4.192 8.747 0.919 1.00 1.00 O ATOM 212 CB CYS A 33 1.750 10.167 2.456 1.00 1.00 C ATOM 213 SG CYS A 33 0.986 10.729 0.914 1.00 1.00 S ATOM 0 H CYS A 33 3.265 11.121 0.386 1.00 1.00 H new ATOM 0 HA CYS A 33 3.614 10.764 3.350 1.00 1.00 H new ATOM 0 HB2 CYS A 33 1.533 9.111 2.618 1.00 1.00 H new ATOM 0 HB3 CYS A 33 1.330 10.712 3.301 1.00 1.00 H new ATOM 214 N PRO A 34 4.276 8.319 3.102 1.00 1.00 N ATOM 215 CA PRO A 34 4.942 7.034 2.951 1.00 1.00 C ATOM 216 C PRO A 34 4.221 6.185 1.902 1.00 1.00 C ATOM 217 O PRO A 34 3.029 6.310 1.704 1.00 1.00 O ATOM 218 CB PRO A 34 4.841 6.392 4.330 1.00 1.00 C ATOM 219 CG PRO A 34 4.722 7.614 5.294 1.00 1.00 C ATOM 220 CD PRO A 34 3.983 8.718 4.487 1.00 1.00 C ATOM 0 HA PRO A 34 5.975 7.130 2.616 1.00 1.00 H new ATOM 0 HB2 PRO A 34 3.974 5.736 4.405 1.00 1.00 H new ATOM 0 HB3 PRO A 34 5.719 5.787 4.556 1.00 1.00 H new ATOM 0 HG2 PRO A 34 4.167 7.350 6.194 1.00 1.00 H new ATOM 0 HG3 PRO A 34 5.706 7.956 5.615 1.00 1.00 H new ATOM 0 HD2 PRO A 34 2.913 8.729 4.693 1.00 1.00 H new ATOM 0 HD3 PRO A 34 4.361 9.715 4.715 1.00 1.00 H new ATOM 221 N LYS A 35 4.931 5.319 1.232 1.00 1.00 N ATOM 222 CA LYS A 35 4.276 4.460 0.205 1.00 1.00 C ATOM 223 C LYS A 35 3.336 3.485 0.914 1.00 1.00 C ATOM 224 O LYS A 35 2.341 3.050 0.368 1.00 1.00 O ATOM 225 CB LYS A 35 5.341 3.678 -0.566 1.00 1.00 C ATOM 226 CG LYS A 35 6.526 4.594 -0.875 1.00 1.00 C ATOM 227 CD LYS A 35 6.808 4.576 -2.379 1.00 1.00 C ATOM 228 CE LYS A 35 8.319 4.567 -2.616 1.00 1.00 C ATOM 229 NZ LYS A 35 8.851 5.953 -2.485 1.00 1.00 N ATOM 0 H LYS A 35 5.933 5.169 1.351 1.00 1.00 H new ATOM 0 HA LYS A 35 3.714 5.078 -0.495 1.00 1.00 H new ATOM 0 HB2 LYS A 35 5.674 2.822 0.020 1.00 1.00 H new ATOM 0 HB3 LYS A 35 4.920 3.286 -1.492 1.00 1.00 H new ATOM 0 HG2 LYS A 35 6.308 5.611 -0.547 1.00 1.00 H new ATOM 0 HG3 LYS A 35 7.407 4.264 -0.325 1.00 1.00 H new ATOM 0 HD2 LYS A 35 6.353 3.697 -2.834 1.00 1.00 H new ATOM 0 HD3 LYS A 35 6.360 5.449 -2.854 1.00 1.00 H new ATOM 0 HE2 LYS A 35 8.807 3.909 -1.896 1.00 1.00 H new ATOM 0 HE3 LYS A 35 8.540 4.174 -3.608 1.00 1.00 H new ATOM 0 HZ1 LYS A 35 9.878 5.947 -2.646 1.00 1.00 H new ATOM 0 HZ2 LYS A 35 8.394 6.568 -3.188 1.00 1.00 H new ATOM 0 HZ3 LYS A 35 8.653 6.312 -1.529 1.00 1.00 H new ATOM 230 N LYS A 36 3.648 3.150 2.135 1.00 1.00 N ATOM 231 CA LYS A 36 2.784 2.212 2.905 1.00 1.00 C ATOM 232 C LYS A 36 1.573 2.971 3.456 1.00 1.00 C ATOM 233 O LYS A 36 0.766 2.428 4.184 1.00 1.00 O ATOM 234 CB LYS A 36 3.588 1.634 4.069 1.00 1.00 C ATOM 235 CG LYS A 36 4.167 2.781 4.900 1.00 1.00 C ATOM 236 CD LYS A 36 5.646 2.513 5.179 1.00 1.00 C ATOM 237 CE LYS A 36 5.779 1.327 6.135 1.00 1.00 C ATOM 238 NZ LYS A 36 7.180 1.247 6.636 1.00 1.00 N ATOM 0 H LYS A 36 4.470 3.488 2.636 1.00 1.00 H new ATOM 0 HA LYS A 36 2.444 1.407 2.253 1.00 1.00 H new ATOM 0 HB2 LYS A 36 2.950 1.005 4.690 1.00 1.00 H new ATOM 0 HB3 LYS A 36 4.391 1.000 3.693 1.00 1.00 H new ATOM 0 HG2 LYS A 36 4.052 3.725 4.367 1.00 1.00 H new ATOM 0 HG3 LYS A 36 3.620 2.876 5.838 1.00 1.00 H new ATOM 0 HD2 LYS A 36 6.170 2.303 4.247 1.00 1.00 H new ATOM 0 HD3 LYS A 36 6.111 3.398 5.614 1.00 1.00 H new ATOM 0 HE2 LYS A 36 5.089 1.441 6.971 1.00 1.00 H new ATOM 0 HE3 LYS A 36 5.511 0.402 5.624 1.00 1.00 H new ATOM 0 HZ1 LYS A 36 7.271 0.440 7.286 1.00 1.00 H new ATOM 0 HZ2 LYS A 36 7.829 1.119 5.833 1.00 1.00 H new ATOM 0 HZ3 LYS A 36 7.420 2.125 7.139 1.00 1.00 H new ATOM 239 N PHE A 37 1.444 4.224 3.116 1.00 1.00 N ATOM 240 CA PHE A 37 0.292 5.021 3.621 1.00 1.00 C ATOM 241 C PHE A 37 -0.838 4.994 2.591 1.00 1.00 C ATOM 242 O PHE A 37 -0.729 4.379 1.549 1.00 1.00 O ATOM 243 CB PHE A 37 0.734 6.469 3.847 1.00 1.00 C ATOM 244 CG PHE A 37 1.161 6.651 5.283 1.00 1.00 C ATOM 245 CD1 PHE A 37 1.968 5.689 5.903 1.00 1.00 C ATOM 246 CD2 PHE A 37 0.748 7.785 5.996 1.00 1.00 C ATOM 247 CE1 PHE A 37 2.363 5.859 7.237 1.00 1.00 C ATOM 248 CE2 PHE A 37 1.144 7.956 7.330 1.00 1.00 C ATOM 249 CZ PHE A 37 1.951 6.993 7.950 1.00 1.00 C ATOM 0 H PHE A 37 2.088 4.731 2.509 1.00 1.00 H new ATOM 0 HA PHE A 37 -0.059 4.594 4.560 1.00 1.00 H new ATOM 0 HB2 PHE A 37 1.558 6.717 3.178 1.00 1.00 H new ATOM 0 HB3 PHE A 37 -0.084 7.150 3.611 1.00 1.00 H new ATOM 0 HD1 PHE A 37 2.286 4.816 5.353 1.00 1.00 H new ATOM 0 HD2 PHE A 37 0.125 8.527 5.518 1.00 1.00 H new ATOM 0 HE1 PHE A 37 2.985 5.116 7.715 1.00 1.00 H new ATOM 0 HE2 PHE A 37 0.827 8.830 7.880 1.00 1.00 H new ATOM 0 HZ PHE A 37 2.256 7.125 8.978 1.00 1.00 H new ATOM 250 N GLY A 38 -1.924 5.658 2.877 1.00 1.00 N ATOM 251 CA GLY A 38 -3.064 5.676 1.918 1.00 1.00 C ATOM 252 C GLY A 38 -4.282 6.306 2.594 1.00 1.00 C ATOM 253 O GLY A 38 -4.262 6.603 3.771 1.00 1.00 O ATOM 0 H GLY A 38 -2.071 6.190 3.735 1.00 1.00 H new ATOM 0 HA2 GLY A 38 -2.795 6.242 1.026 1.00 1.00 H new ATOM 0 HA3 GLY A 38 -3.298 4.662 1.594 1.00 1.00 H new ATOM 254 N GLY A 39 -5.342 6.512 1.863 1.00 1.00 N ATOM 255 CA GLY A 39 -6.557 7.123 2.473 1.00 1.00 C ATOM 256 C GLY A 39 -6.694 8.571 2.011 1.00 1.00 C ATOM 257 O GLY A 39 -6.164 9.475 2.622 1.00 1.00 O ATOM 0 H GLY A 39 -5.420 6.284 0.872 1.00 1.00 H new ATOM 0 HA2 GLY A 39 -7.443 6.555 2.188 1.00 1.00 H new ATOM 0 HA3 GLY A 39 -6.489 7.083 3.560 1.00 1.00 H new ATOM 258 N GLN A 40 -7.412 8.792 0.939 1.00 1.00 N ATOM 259 CA GLN A 40 -7.605 10.180 0.425 1.00 1.00 C ATOM 260 C GLN A 40 -6.282 10.947 0.472 1.00 1.00 C ATOM 261 O GLN A 40 -5.516 10.946 -0.471 1.00 1.00 O ATOM 262 CB GLN A 40 -8.642 10.900 1.289 1.00 1.00 C ATOM 263 CG GLN A 40 -8.717 12.372 0.879 1.00 1.00 C ATOM 264 CD GLN A 40 -9.690 13.110 1.801 1.00 1.00 C ATOM 265 OE1 GLN A 40 -9.883 12.722 2.936 1.00 1.00 O ATOM 266 NE2 GLN A 40 -10.317 14.165 1.357 1.00 1.00 N ATOM 0 H GLN A 40 -7.876 8.064 0.395 1.00 1.00 H new ATOM 0 HA GLN A 40 -7.952 10.134 -0.607 1.00 1.00 H new ATOM 0 HB2 GLN A 40 -9.618 10.429 1.172 1.00 1.00 H new ATOM 0 HB3 GLN A 40 -8.373 10.818 2.342 1.00 1.00 H new ATOM 0 HG2 GLN A 40 -7.728 12.827 0.937 1.00 1.00 H new ATOM 0 HG3 GLN A 40 -9.046 12.456 -0.157 1.00 1.00 H new ATOM 0 HE21 GLN A 40 -10.155 14.491 0.404 1.00 1.00 H new ATOM 0 HE22 GLN A 40 -10.969 14.663 1.963 1.00 1.00 H new ATOM 267 N HIS A 41 -6.007 11.598 1.567 1.00 1.00 N ATOM 268 CA HIS A 41 -4.736 12.363 1.685 1.00 1.00 C ATOM 269 C HIS A 41 -3.748 11.551 2.517 1.00 1.00 C ATOM 270 O HIS A 41 -3.103 12.060 3.403 1.00 1.00 O ATOM 271 CB HIS A 41 -5.013 13.704 2.369 1.00 1.00 C ATOM 272 CG HIS A 41 -5.605 14.661 1.372 1.00 1.00 C ATOM 273 ND1 HIS A 41 -6.707 15.448 1.669 1.00 1.00 N ATOM 274 CD2 HIS A 41 -5.263 14.967 0.079 1.00 1.00 C ATOM 275 CE1 HIS A 41 -6.985 16.183 0.576 1.00 1.00 C ATOM 276 NE2 HIS A 41 -6.135 15.929 -0.422 1.00 1.00 N ATOM 0 H HIS A 41 -6.611 11.633 2.388 1.00 1.00 H new ATOM 0 HA HIS A 41 -4.316 12.547 0.696 1.00 1.00 H new ATOM 0 HB2 HIS A 41 -5.698 13.563 3.205 1.00 1.00 H new ATOM 0 HB3 HIS A 41 -4.090 14.113 2.778 1.00 1.00 H new ATOM 0 HD2 HIS A 41 -4.441 14.528 -0.467 1.00 1.00 H new ATOM 0 HE1 HIS A 41 -7.797 16.892 0.514 1.00 1.00 H new ATOM 0 HE2 HIS A 41 -6.127 16.349 -1.351 1.00 1.00 H new ATOM 277 N CYS A 42 -3.627 10.285 2.239 1.00 1.00 N ATOM 278 CA CYS A 42 -2.681 9.445 3.020 1.00 1.00 C ATOM 279 C CYS A 42 -3.025 9.538 4.507 1.00 1.00 C ATOM 280 O CYS A 42 -2.273 10.081 5.296 1.00 1.00 O ATOM 281 CB CYS A 42 -1.249 9.939 2.796 1.00 1.00 C ATOM 282 SG CYS A 42 -0.911 10.040 1.020 1.00 1.00 S ATOM 0 H CYS A 42 -4.141 9.796 1.506 1.00 1.00 H new ATOM 0 HA CYS A 42 -2.762 8.409 2.691 1.00 1.00 H new ATOM 0 HB2 CYS A 42 -1.115 10.917 3.258 1.00 1.00 H new ATOM 0 HB3 CYS A 42 -0.541 9.261 3.273 1.00 1.00 H new ATOM 283 N GLU A 43 -4.159 9.017 4.896 1.00 1.00 N ATOM 284 CA GLU A 43 -4.555 9.070 6.331 1.00 1.00 C ATOM 285 C GLU A 43 -4.593 7.649 6.901 1.00 1.00 C ATOM 286 O GLU A 43 -5.305 7.368 7.845 1.00 1.00 O ATOM 287 CB GLU A 43 -5.941 9.708 6.457 1.00 1.00 C ATOM 288 CG GLU A 43 -7.010 8.722 5.980 1.00 1.00 C ATOM 289 CD GLU A 43 -8.398 9.332 6.190 1.00 1.00 C ATOM 290 OE1 GLU A 43 -8.797 9.468 7.335 1.00 1.00 O ATOM 291 OE2 GLU A 43 -9.037 9.654 5.202 1.00 1.00 O ATOM 0 H GLU A 43 -4.828 8.556 4.279 1.00 1.00 H new ATOM 0 HA GLU A 43 -3.831 9.666 6.886 1.00 1.00 H new ATOM 0 HB2 GLU A 43 -6.129 9.990 7.493 1.00 1.00 H new ATOM 0 HB3 GLU A 43 -5.986 10.622 5.865 1.00 1.00 H new ATOM 0 HG2 GLU A 43 -6.860 8.488 4.926 1.00 1.00 H new ATOM 0 HG3 GLU A 43 -6.926 7.784 6.530 1.00 1.00 H new ATOM 292 N ILE A 44 -3.834 6.752 6.335 1.00 1.00 N ATOM 293 CA ILE A 44 -3.829 5.352 6.845 1.00 1.00 C ATOM 294 C ILE A 44 -2.431 4.754 6.677 1.00 1.00 C ATOM 295 O ILE A 44 -1.709 5.086 5.758 1.00 1.00 O ATOM 296 CB ILE A 44 -4.838 4.517 6.054 1.00 1.00 C ATOM 297 CG1 ILE A 44 -6.088 5.356 5.772 1.00 1.00 C ATOM 298 CG2 ILE A 44 -5.229 3.283 6.869 1.00 1.00 C ATOM 299 CD1 ILE A 44 -7.202 4.452 5.243 1.00 1.00 C ATOM 0 H ILE A 44 -3.217 6.928 5.542 1.00 1.00 H new ATOM 0 HA ILE A 44 -4.102 5.349 7.900 1.00 1.00 H new ATOM 0 HB ILE A 44 -4.389 4.205 5.111 1.00 1.00 H new ATOM 0 HG12 ILE A 44 -6.415 5.858 6.683 1.00 1.00 H new ATOM 0 HG13 ILE A 44 -5.860 6.134 5.043 1.00 1.00 H new ATOM 0 HG21 ILE A 44 -5.948 2.688 6.306 1.00 1.00 H new ATOM 0 HG22 ILE A 44 -4.341 2.684 7.071 1.00 1.00 H new ATOM 0 HG23 ILE A 44 -5.677 3.597 7.812 1.00 1.00 H new ATOM 0 HD11 ILE A 44 -8.091 5.050 5.043 1.00 1.00 H new ATOM 0 HD12 ILE A 44 -6.873 3.970 4.322 1.00 1.00 H new ATOM 0 HD13 ILE A 44 -7.437 3.691 5.987 1.00 1.00 H new ATOM 300 N ASP A 45 -2.043 3.872 7.559 1.00 1.00 N ATOM 301 CA ASP A 45 -0.692 3.252 7.451 1.00 1.00 C ATOM 302 C ASP A 45 -0.809 1.896 6.753 1.00 1.00 C ATOM 303 O ASP A 45 -0.473 0.869 7.310 1.00 1.00 O ATOM 304 CB ASP A 45 -0.107 3.057 8.851 1.00 1.00 C ATOM 305 CG ASP A 45 1.420 3.105 8.778 1.00 1.00 C ATOM 306 OD1 ASP A 45 1.986 2.282 8.077 1.00 1.00 O ATOM 307 OD2 ASP A 45 1.998 3.963 9.425 1.00 1.00 O ATOM 0 H ASP A 45 -2.604 3.554 8.350 1.00 1.00 H new ATOM 0 HA ASP A 45 -0.038 3.904 6.872 1.00 1.00 H new ATOM 0 HB2 ASP A 45 -0.474 3.834 9.521 1.00 1.00 H new ATOM 0 HB3 ASP A 45 -0.432 2.101 9.262 1.00 1.00 H new ATOM 308 N LYS A 46 -1.283 1.882 5.538 1.00 1.00 N ATOM 309 CA LYS A 46 -1.422 0.592 4.805 1.00 1.00 C ATOM 310 C LYS A 46 -0.036 -0.004 4.554 1.00 1.00 C ATOM 311 O LYS A 46 0.885 0.198 5.320 1.00 1.00 O ATOM 312 CB LYS A 46 -2.122 0.839 3.467 1.00 1.00 C ATOM 313 CG LYS A 46 -3.432 1.591 3.707 1.00 1.00 C ATOM 314 CD LYS A 46 -3.792 2.402 2.461 1.00 1.00 C ATOM 315 CE LYS A 46 -4.705 1.571 1.557 1.00 1.00 C ATOM 316 NZ LYS A 46 -6.013 2.266 1.398 1.00 1.00 N ATOM 0 H LYS A 46 -1.580 2.709 5.020 1.00 1.00 H new ATOM 0 HA LYS A 46 -2.013 -0.103 5.401 1.00 1.00 H new ATOM 0 HB2 LYS A 46 -1.475 1.416 2.807 1.00 1.00 H new ATOM 0 HB3 LYS A 46 -2.321 -0.110 2.968 1.00 1.00 H new ATOM 0 HG2 LYS A 46 -4.231 0.886 3.938 1.00 1.00 H new ATOM 0 HG3 LYS A 46 -3.331 2.252 4.568 1.00 1.00 H new ATOM 0 HD2 LYS A 46 -4.291 3.327 2.748 1.00 1.00 H new ATOM 0 HD3 LYS A 46 -2.887 2.682 1.922 1.00 1.00 H new ATOM 0 HE2 LYS A 46 -4.237 1.427 0.583 1.00 1.00 H new ATOM 0 HE3 LYS A 46 -4.857 0.581 1.987 1.00 1.00 H new ATOM 0 HZ1 LYS A 46 -6.634 1.701 0.784 1.00 1.00 H new ATOM 0 HZ2 LYS A 46 -6.460 2.382 2.330 1.00 1.00 H new ATOM 0 HZ3 LYS A 46 -5.859 3.201 0.969 1.00 1.00 H new ATOM 370 N ASN A 54 9.017 -5.329 -11.039 1.00 1.00 N ATOM 371 CA ASN A 54 7.874 -5.525 -11.976 1.00 1.00 C ATOM 372 C ASN A 54 7.621 -7.022 -12.171 1.00 1.00 C ATOM 373 O ASN A 54 6.687 -7.420 -12.839 1.00 1.00 O ATOM 374 CB ASN A 54 8.203 -4.885 -13.327 1.00 1.00 C ATOM 375 CG ASN A 54 9.706 -4.989 -13.591 1.00 1.00 C ATOM 376 OD1 ASN A 54 10.500 -4.392 -12.891 1.00 1.00 O ATOM 377 ND2 ASN A 54 10.134 -5.727 -14.579 1.00 1.00 N ATOM 0 HA ASN A 54 6.982 -5.057 -11.559 1.00 1.00 H new ATOM 0 HB2 ASN A 54 7.648 -5.384 -14.122 1.00 1.00 H new ATOM 0 HB3 ASN A 54 7.894 -3.840 -13.331 1.00 1.00 H new ATOM 0 HD21 ASN A 54 11.134 -5.802 -14.763 1.00 1.00 H new ATOM 0 HD22 ASN A 54 9.468 -6.228 -15.167 1.00 1.00 H new ATOM 378 N GLY A 55 8.444 -7.856 -11.596 1.00 1.00 N ATOM 379 CA GLY A 55 8.246 -9.324 -11.752 1.00 1.00 C ATOM 380 C GLY A 55 9.521 -9.959 -12.311 1.00 1.00 C ATOM 381 O GLY A 55 9.546 -11.123 -12.656 1.00 1.00 O ATOM 0 H GLY A 55 9.244 -7.584 -11.025 1.00 1.00 H new ATOM 0 HA2 GLY A 55 7.997 -9.772 -10.790 1.00 1.00 H new ATOM 0 HA3 GLY A 55 7.408 -9.519 -12.421 1.00 1.00 H new ATOM 382 N HIS A 56 10.582 -9.203 -12.402 1.00 1.00 N ATOM 383 CA HIS A 56 11.852 -9.768 -12.938 1.00 1.00 C ATOM 384 C HIS A 56 12.282 -10.958 -12.079 1.00 1.00 C ATOM 385 O HIS A 56 12.395 -12.071 -12.554 1.00 1.00 O ATOM 386 CB HIS A 56 12.943 -8.695 -12.905 1.00 1.00 C ATOM 387 CG HIS A 56 14.040 -9.070 -13.862 1.00 1.00 C ATOM 388 ND1 HIS A 56 14.202 -10.364 -14.329 1.00 1.00 N ATOM 389 CD2 HIS A 56 15.038 -8.331 -14.450 1.00 1.00 C ATOM 390 CE1 HIS A 56 15.261 -10.366 -15.160 1.00 1.00 C ATOM 391 NE2 HIS A 56 15.807 -9.152 -15.269 1.00 1.00 N ATOM 0 H HIS A 56 10.624 -8.221 -12.129 1.00 1.00 H new ATOM 0 HA HIS A 56 11.698 -10.097 -13.966 1.00 1.00 H new ATOM 0 HB2 HIS A 56 12.524 -7.726 -13.176 1.00 1.00 H new ATOM 0 HB3 HIS A 56 13.343 -8.598 -11.896 1.00 1.00 H new ATOM 0 HD2 HIS A 56 15.201 -7.274 -14.299 1.00 1.00 H new ATOM 0 HE1 HIS A 56 15.625 -11.242 -15.676 1.00 1.00 H new ATOM 0 HE2 HIS A 56 16.614 -8.884 -15.832 1.00 1.00 H new ATOM 392 N PHE A 57 12.523 -10.734 -10.816 1.00 1.00 N ATOM 393 CA PHE A 57 12.945 -11.853 -9.927 1.00 1.00 C ATOM 394 C PHE A 57 11.771 -12.266 -9.038 1.00 1.00 C ATOM 395 O PHE A 57 11.297 -13.383 -9.099 1.00 1.00 O ATOM 396 CB PHE A 57 14.114 -11.395 -9.052 1.00 1.00 C ATOM 397 CG PHE A 57 14.993 -10.452 -9.838 1.00 1.00 C ATOM 398 CD1 PHE A 57 15.806 -10.946 -10.867 1.00 1.00 C ATOM 399 CD2 PHE A 57 14.995 -9.083 -9.539 1.00 1.00 C ATOM 400 CE1 PHE A 57 16.622 -10.071 -11.596 1.00 1.00 C ATOM 401 CE2 PHE A 57 15.811 -8.208 -10.269 1.00 1.00 C ATOM 402 CZ PHE A 57 16.624 -8.702 -11.298 1.00 1.00 C ATOM 0 H PHE A 57 12.446 -9.824 -10.361 1.00 1.00 H new ATOM 0 HA PHE A 57 13.258 -12.703 -10.533 1.00 1.00 H new ATOM 0 HB2 PHE A 57 13.739 -10.899 -8.157 1.00 1.00 H new ATOM 0 HB3 PHE A 57 14.693 -12.257 -8.720 1.00 1.00 H new ATOM 0 HD1 PHE A 57 15.804 -12.001 -11.098 1.00 1.00 H new ATOM 0 HD2 PHE A 57 14.368 -8.702 -8.746 1.00 1.00 H new ATOM 0 HE1 PHE A 57 17.250 -10.452 -12.388 1.00 1.00 H new ATOM 0 HE2 PHE A 57 15.813 -7.153 -10.038 1.00 1.00 H new ATOM 0 HZ PHE A 57 17.252 -8.028 -11.861 1.00 1.00 H new ATOM 403 N TYR A 58 11.297 -11.374 -8.213 1.00 1.00 N ATOM 404 CA TYR A 58 10.154 -11.715 -7.321 1.00 1.00 C ATOM 405 C TYR A 58 10.561 -12.849 -6.378 1.00 1.00 C ATOM 406 O TYR A 58 11.183 -13.812 -6.781 1.00 1.00 O ATOM 407 CB TYR A 58 8.960 -12.162 -8.167 1.00 1.00 C ATOM 408 CG TYR A 58 7.790 -12.470 -7.264 1.00 1.00 C ATOM 409 CD1 TYR A 58 7.013 -11.426 -6.744 1.00 1.00 C ATOM 410 CD2 TYR A 58 7.483 -13.799 -6.944 1.00 1.00 C ATOM 411 CE1 TYR A 58 5.928 -11.712 -5.904 1.00 1.00 C ATOM 412 CE2 TYR A 58 6.397 -14.085 -6.105 1.00 1.00 C ATOM 413 CZ TYR A 58 5.620 -13.041 -5.585 1.00 1.00 C ATOM 414 OH TYR A 58 4.552 -13.323 -4.758 1.00 1.00 O ATOM 0 H TYR A 58 11.652 -10.423 -8.118 1.00 1.00 H new ATOM 0 HA TYR A 58 9.878 -10.837 -6.737 1.00 1.00 H new ATOM 0 HB2 TYR A 58 8.690 -11.379 -8.876 1.00 1.00 H new ATOM 0 HB3 TYR A 58 9.224 -13.044 -8.751 1.00 1.00 H new ATOM 0 HD1 TYR A 58 7.250 -10.402 -6.990 1.00 1.00 H new ATOM 0 HD2 TYR A 58 8.083 -14.603 -7.344 1.00 1.00 H new ATOM 0 HE1 TYR A 58 5.329 -10.908 -5.503 1.00 1.00 H new ATOM 0 HE2 TYR A 58 6.159 -15.109 -5.859 1.00 1.00 H new ATOM 0 HH TYR A 58 3.983 -12.530 -4.677 1.00 1.00 H new ATOM 415 N ARG A 59 10.215 -12.742 -5.124 1.00 1.00 N ATOM 416 CA ARG A 59 10.581 -13.813 -4.155 1.00 1.00 C ATOM 417 C ARG A 59 9.479 -13.944 -3.102 1.00 1.00 C ATOM 418 O ARG A 59 9.723 -13.834 -1.917 1.00 1.00 O ATOM 419 CB ARG A 59 11.900 -13.451 -3.470 1.00 1.00 C ATOM 420 CG ARG A 59 11.836 -12.006 -2.970 1.00 1.00 C ATOM 421 CD ARG A 59 13.138 -11.285 -3.323 1.00 1.00 C ATOM 422 NE ARG A 59 13.932 -11.056 -2.083 1.00 1.00 N ATOM 423 CZ ARG A 59 15.236 -11.085 -2.129 1.00 1.00 C ATOM 424 NH1 ARG A 59 15.846 -12.057 -2.749 1.00 1.00 N ATOM 425 NH2 ARG A 59 15.930 -10.141 -1.553 1.00 1.00 N ATOM 0 H ARG A 59 9.695 -11.959 -4.729 1.00 1.00 H new ATOM 0 HA ARG A 59 10.694 -14.760 -4.684 1.00 1.00 H new ATOM 0 HB2 ARG A 59 12.087 -14.128 -2.636 1.00 1.00 H new ATOM 0 HB3 ARG A 59 12.729 -13.569 -4.168 1.00 1.00 H new ATOM 0 HG2 ARG A 59 10.989 -11.491 -3.422 1.00 1.00 H new ATOM 0 HG3 ARG A 59 11.680 -11.990 -1.891 1.00 1.00 H new ATOM 0 HD2 ARG A 59 13.714 -11.879 -4.032 1.00 1.00 H new ATOM 0 HD3 ARG A 59 12.919 -10.334 -3.808 1.00 1.00 H new ATOM 0 HE ARG A 59 13.457 -10.877 -1.199 1.00 1.00 H new ATOM 0 HH11 ARG A 59 15.304 -12.795 -3.198 1.00 1.00 H new ATOM 0 HH12 ARG A 59 16.865 -12.079 -2.785 1.00 1.00 H new ATOM 0 HH21 ARG A 59 15.453 -9.381 -1.067 1.00 1.00 H new ATOM 0 HH22 ARG A 59 16.949 -10.163 -1.589 1.00 1.00 H new ATOM 426 N GLY A 60 8.266 -14.178 -3.525 1.00 1.00 N ATOM 427 CA GLY A 60 7.150 -14.314 -2.547 1.00 1.00 C ATOM 428 C GLY A 60 6.580 -15.732 -2.614 1.00 1.00 C ATOM 429 O GLY A 60 7.307 -16.698 -2.740 1.00 1.00 O ATOM 0 H GLY A 60 8.000 -14.281 -4.504 1.00 1.00 H new ATOM 0 HA2 GLY A 60 7.508 -14.102 -1.539 1.00 1.00 H new ATOM 0 HA3 GLY A 60 6.369 -13.586 -2.767 1.00 1.00 H new ATOM 430 N LYS A 61 5.284 -15.866 -2.530 1.00 1.00 N ATOM 431 CA LYS A 61 4.671 -17.223 -2.587 1.00 1.00 C ATOM 432 C LYS A 61 3.705 -17.299 -3.772 1.00 1.00 C ATOM 433 O LYS A 61 3.334 -18.368 -4.213 1.00 1.00 O ATOM 434 CB LYS A 61 3.907 -17.493 -1.290 1.00 1.00 C ATOM 435 CG LYS A 61 4.081 -18.959 -0.890 1.00 1.00 C ATOM 436 CD LYS A 61 3.830 -19.113 0.611 1.00 1.00 C ATOM 437 CE LYS A 61 2.452 -19.738 0.837 1.00 1.00 C ATOM 438 NZ LYS A 61 2.528 -21.208 0.603 1.00 1.00 N ATOM 0 H LYS A 61 4.624 -15.095 -2.425 1.00 1.00 H new ATOM 0 HA LYS A 61 5.456 -17.970 -2.709 1.00 1.00 H new ATOM 0 HB2 LYS A 61 4.275 -16.843 -0.497 1.00 1.00 H new ATOM 0 HB3 LYS A 61 2.850 -17.265 -1.424 1.00 1.00 H new ATOM 0 HG2 LYS A 61 3.387 -19.585 -1.451 1.00 1.00 H new ATOM 0 HG3 LYS A 61 5.087 -19.297 -1.138 1.00 1.00 H new ATOM 0 HD2 LYS A 61 4.603 -19.739 1.057 1.00 1.00 H new ATOM 0 HD3 LYS A 61 3.885 -18.141 1.101 1.00 1.00 H new ATOM 0 HE2 LYS A 61 2.113 -19.538 1.853 1.00 1.00 H new ATOM 0 HE3 LYS A 61 1.722 -19.289 0.163 1.00 1.00 H new ATOM 0 HZ1 LYS A 61 1.591 -21.633 0.757 1.00 1.00 H new ATOM 0 HZ2 LYS A 61 2.834 -21.389 -0.374 1.00 1.00 H new ATOM 0 HZ3 LYS A 61 3.212 -21.630 1.263 1.00 1.00 H new ATOM 439 N ALA A 62 3.295 -16.173 -4.290 1.00 1.00 N ATOM 440 CA ALA A 62 2.354 -16.186 -5.446 1.00 1.00 C ATOM 441 C ALA A 62 2.811 -17.235 -6.460 1.00 1.00 C ATOM 442 O ALA A 62 3.861 -17.115 -7.060 1.00 1.00 O ATOM 443 CB ALA A 62 2.340 -14.807 -6.108 1.00 1.00 C ATOM 0 H ALA A 62 3.570 -15.247 -3.964 1.00 1.00 H new ATOM 0 HA ALA A 62 1.351 -16.430 -5.097 1.00 1.00 H new ATOM 0 HB1 ALA A 62 1.652 -14.816 -6.953 1.00 1.00 H new ATOM 0 HB2 ALA A 62 2.016 -14.059 -5.384 1.00 1.00 H new ATOM 0 HB3 ALA A 62 3.342 -14.562 -6.459 1.00 1.00 H new ATOM 444 N SER A 63 2.035 -18.267 -6.654 1.00 1.00 N ATOM 445 CA SER A 63 2.433 -19.322 -7.628 1.00 1.00 C ATOM 446 C SER A 63 1.314 -19.537 -8.648 1.00 1.00 C ATOM 447 O SER A 63 1.478 -20.250 -9.618 1.00 1.00 O ATOM 448 CB SER A 63 2.696 -20.631 -6.882 1.00 1.00 C ATOM 449 OG SER A 63 2.098 -20.566 -5.594 1.00 1.00 O ATOM 0 H SER A 63 1.145 -18.424 -6.181 1.00 1.00 H new ATOM 0 HA SER A 63 3.338 -19.006 -8.147 1.00 1.00 H new ATOM 0 HB2 SER A 63 2.287 -21.471 -7.443 1.00 1.00 H new ATOM 0 HB3 SER A 63 3.769 -20.801 -6.789 1.00 1.00 H new ATOM 0 HG SER A 63 2.588 -19.925 -5.038 1.00 1.00 H new ATOM 450 N THR A 64 0.177 -18.931 -8.443 1.00 1.00 N ATOM 451 CA THR A 64 -0.939 -19.114 -9.412 1.00 1.00 C ATOM 452 C THR A 64 -0.876 -18.020 -10.479 1.00 1.00 C ATOM 453 O THR A 64 -0.065 -17.119 -10.411 1.00 1.00 O ATOM 454 CB THR A 64 -2.282 -19.034 -8.680 1.00 1.00 C ATOM 455 OG1 THR A 64 -2.377 -17.788 -8.003 1.00 1.00 O ATOM 456 CG2 THR A 64 -2.392 -20.176 -7.669 1.00 1.00 C ATOM 0 H THR A 64 -0.027 -18.321 -7.651 1.00 1.00 H new ATOM 0 HA THR A 64 -0.844 -20.091 -9.885 1.00 1.00 H new ATOM 0 HB THR A 64 -3.092 -19.119 -9.404 1.00 1.00 H new ATOM 0 HG1 THR A 64 -3.237 -17.734 -7.535 1.00 1.00 H new ATOM 0 HG21 THR A 64 -3.349 -20.113 -7.152 1.00 1.00 H new ATOM 0 HG22 THR A 64 -2.323 -21.131 -8.190 1.00 1.00 H new ATOM 0 HG23 THR A 64 -1.582 -20.099 -6.944 1.00 1.00 H new ATOM 457 N ASP A 65 -1.728 -18.091 -11.467 1.00 1.00 N ATOM 458 CA ASP A 65 -1.714 -17.055 -12.537 1.00 1.00 C ATOM 459 C ASP A 65 -2.737 -15.960 -12.206 1.00 1.00 C ATOM 460 O ASP A 65 -3.012 -15.687 -11.054 1.00 1.00 O ATOM 461 CB ASP A 65 -2.056 -17.704 -13.878 1.00 1.00 C ATOM 462 CG ASP A 65 -3.440 -18.351 -13.803 1.00 1.00 C ATOM 463 OD1 ASP A 65 -3.560 -19.373 -13.148 1.00 1.00 O ATOM 464 OD2 ASP A 65 -4.356 -17.815 -14.405 1.00 1.00 O ATOM 0 H ASP A 65 -2.432 -18.821 -11.578 1.00 1.00 H new ATOM 0 HA ASP A 65 -0.722 -16.607 -12.600 1.00 1.00 H new ATOM 0 HB2 ASP A 65 -2.037 -16.955 -14.670 1.00 1.00 H new ATOM 0 HB3 ASP A 65 -1.307 -18.454 -14.131 1.00 1.00 H new ATOM 465 N THR A 66 -3.304 -15.331 -13.203 1.00 1.00 N ATOM 466 CA THR A 66 -4.305 -14.259 -12.943 1.00 1.00 C ATOM 467 C THR A 66 -5.692 -14.883 -12.792 1.00 1.00 C ATOM 468 O THR A 66 -6.698 -14.226 -12.974 1.00 1.00 O ATOM 469 CB THR A 66 -4.316 -13.277 -14.118 1.00 1.00 C ATOM 470 OG1 THR A 66 -3.944 -13.960 -15.306 1.00 1.00 O ATOM 471 CG2 THR A 66 -3.328 -12.141 -13.848 1.00 1.00 C ATOM 0 H THR A 66 -3.115 -15.516 -14.188 1.00 1.00 H new ATOM 0 HA THR A 66 -4.041 -13.730 -12.027 1.00 1.00 H new ATOM 0 HB THR A 66 -5.317 -12.862 -14.235 1.00 1.00 H new ATOM 0 HG1 THR A 66 -3.952 -13.334 -16.060 1.00 1.00 H new ATOM 0 HG21 THR A 66 -3.338 -11.444 -14.686 1.00 1.00 H new ATOM 0 HG22 THR A 66 -3.616 -11.617 -12.936 1.00 1.00 H new ATOM 0 HG23 THR A 66 -2.325 -12.551 -13.729 1.00 1.00 H new ATOM 472 N MET A 67 -5.760 -16.142 -12.462 1.00 1.00 N ATOM 473 CA MET A 67 -7.084 -16.792 -12.305 1.00 1.00 C ATOM 474 C MET A 67 -7.122 -17.509 -10.960 1.00 1.00 C ATOM 475 O MET A 67 -8.062 -17.387 -10.200 1.00 1.00 O ATOM 476 CB MET A 67 -7.300 -17.804 -13.432 1.00 1.00 C ATOM 477 CG MET A 67 -8.070 -17.142 -14.575 1.00 1.00 C ATOM 478 SD MET A 67 -7.241 -17.494 -16.146 1.00 1.00 S ATOM 479 CE MET A 67 -6.151 -16.050 -16.157 1.00 1.00 C ATOM 0 H MET A 67 -4.955 -16.746 -12.295 1.00 1.00 H new ATOM 0 HA MET A 67 -7.872 -16.040 -12.348 1.00 1.00 H new ATOM 0 HB2 MET A 67 -6.340 -18.173 -13.793 1.00 1.00 H new ATOM 0 HB3 MET A 67 -7.853 -18.666 -13.059 1.00 1.00 H new ATOM 0 HG2 MET A 67 -9.094 -17.514 -14.601 1.00 1.00 H new ATOM 0 HG3 MET A 67 -8.126 -16.065 -14.414 1.00 1.00 H new ATOM 0 HE1 MET A 67 -6.281 -15.503 -17.091 1.00 1.00 H new ATOM 0 HE2 MET A 67 -6.400 -15.400 -15.319 1.00 1.00 H new ATOM 0 HE3 MET A 67 -5.115 -16.376 -16.068 1.00 1.00 H new ATOM 480 N GLY A 68 -6.094 -18.249 -10.659 1.00 1.00 N ATOM 481 CA GLY A 68 -6.046 -18.971 -9.362 1.00 1.00 C ATOM 482 C GLY A 68 -5.303 -20.293 -9.541 1.00 1.00 C ATOM 483 O GLY A 68 -4.694 -20.800 -8.621 1.00 1.00 O ATOM 0 H GLY A 68 -5.281 -18.385 -11.260 1.00 1.00 H new ATOM 0 HA2 GLY A 68 -5.545 -18.359 -8.612 1.00 1.00 H new ATOM 0 HA3 GLY A 68 -7.057 -19.156 -8.999 1.00 1.00 H new ATOM 484 N ARG A 69 -5.336 -20.854 -10.719 1.00 1.00 N ATOM 485 CA ARG A 69 -4.613 -22.137 -10.936 1.00 1.00 C ATOM 486 C ARG A 69 -3.171 -21.960 -10.469 1.00 1.00 C ATOM 487 O ARG A 69 -2.660 -20.861 -10.472 1.00 1.00 O ATOM 488 CB ARG A 69 -4.605 -22.500 -12.424 1.00 1.00 C ATOM 489 CG ARG A 69 -6.024 -22.460 -12.991 1.00 1.00 C ATOM 490 CD ARG A 69 -5.962 -22.006 -14.449 1.00 1.00 C ATOM 491 NE ARG A 69 -7.344 -21.816 -14.974 1.00 1.00 N ATOM 492 CZ ARG A 69 -8.259 -21.263 -14.224 1.00 1.00 C ATOM 493 NH1 ARG A 69 -8.729 -21.905 -13.190 1.00 1.00 N ATOM 494 NH2 ARG A 69 -8.705 -20.070 -14.510 1.00 1.00 N ATOM 0 H ARG A 69 -5.827 -20.483 -11.532 1.00 1.00 H new ATOM 0 HA ARG A 69 -5.111 -22.931 -10.379 1.00 1.00 H new ATOM 0 HB2 ARG A 69 -3.969 -21.804 -12.971 1.00 1.00 H new ATOM 0 HB3 ARG A 69 -4.180 -23.495 -12.560 1.00 1.00 H new ATOM 0 HG2 ARG A 69 -6.485 -23.445 -12.922 1.00 1.00 H new ATOM 0 HG3 ARG A 69 -6.643 -21.777 -12.410 1.00 1.00 H new ATOM 0 HD2 ARG A 69 -5.402 -21.074 -14.527 1.00 1.00 H new ATOM 0 HD3 ARG A 69 -5.433 -22.747 -15.049 1.00 1.00 H new ATOM 0 HE ARG A 69 -7.575 -22.118 -15.920 1.00 1.00 H new ATOM 0 HH11 ARG A 69 -8.382 -22.838 -12.968 1.00 1.00 H new ATOM 0 HH12 ARG A 69 -9.444 -21.474 -12.604 1.00 1.00 H new ATOM 0 HH21 ARG A 69 -8.339 -19.569 -15.320 1.00 1.00 H new ATOM 0 HH22 ARG A 69 -9.420 -19.639 -13.924 1.00 1.00 H new ATOM 495 N PRO A 70 -2.552 -23.045 -10.091 1.00 1.00 N ATOM 496 CA PRO A 70 -1.174 -23.016 -9.635 1.00 1.00 C ATOM 497 C PRO A 70 -0.234 -22.784 -10.823 1.00 1.00 C ATOM 498 O PRO A 70 0.969 -22.704 -10.668 1.00 1.00 O ATOM 499 CB PRO A 70 -0.947 -24.391 -9.023 1.00 1.00 C ATOM 500 CG PRO A 70 -1.983 -25.295 -9.764 1.00 1.00 C ATOM 501 CD PRO A 70 -3.189 -24.370 -10.095 1.00 1.00 C ATOM 0 HA PRO A 70 -0.980 -22.215 -8.922 1.00 1.00 H new ATOM 0 HB2 PRO A 70 0.074 -24.737 -9.182 1.00 1.00 H new ATOM 0 HB3 PRO A 70 -1.118 -24.384 -7.946 1.00 1.00 H new ATOM 0 HG2 PRO A 70 -1.554 -25.719 -10.672 1.00 1.00 H new ATOM 0 HG3 PRO A 70 -2.292 -26.131 -9.137 1.00 1.00 H new ATOM 0 HD2 PRO A 70 -3.635 -24.608 -11.061 1.00 1.00 H new ATOM 0 HD3 PRO A 70 -3.981 -24.447 -9.350 1.00 1.00 H new ATOM 502 N CYS A 71 -0.775 -22.676 -12.008 1.00 1.00 N ATOM 503 CA CYS A 71 0.084 -22.450 -13.203 1.00 1.00 C ATOM 504 C CYS A 71 0.968 -23.679 -13.426 1.00 1.00 C ATOM 505 O CYS A 71 1.105 -24.519 -12.559 1.00 1.00 O ATOM 506 CB CYS A 71 0.967 -21.221 -12.968 1.00 1.00 C ATOM 507 SG CYS A 71 1.569 -20.589 -14.554 1.00 1.00 S ATOM 0 H CYS A 71 -1.775 -22.735 -12.198 1.00 1.00 H new ATOM 0 HA CYS A 71 -0.541 -22.285 -14.080 1.00 1.00 H new ATOM 0 HB2 CYS A 71 0.400 -20.448 -12.449 1.00 1.00 H new ATOM 0 HB3 CYS A 71 1.809 -21.483 -12.327 1.00 1.00 H new ATOM 508 N LEU A 72 1.574 -23.792 -14.576 1.00 1.00 N ATOM 509 CA LEU A 72 2.450 -24.968 -14.837 1.00 1.00 C ATOM 510 C LEU A 72 3.885 -24.628 -14.436 1.00 1.00 C ATOM 511 O LEU A 72 4.339 -23.524 -14.661 1.00 1.00 O ATOM 512 CB LEU A 72 2.442 -25.311 -16.330 1.00 1.00 C ATOM 513 CG LEU A 72 1.024 -25.630 -16.794 1.00 1.00 C ATOM 514 CD1 LEU A 72 0.757 -24.916 -18.119 1.00 1.00 C ATOM 515 CD2 LEU A 72 0.890 -27.139 -17.001 1.00 1.00 C ATOM 0 H LEU A 72 1.501 -23.124 -15.343 1.00 1.00 H new ATOM 0 HA LEU A 72 2.079 -25.815 -14.260 1.00 1.00 H new ATOM 0 HB2 LEU A 72 2.840 -24.474 -16.904 1.00 1.00 H new ATOM 0 HB3 LEU A 72 3.094 -26.165 -16.517 1.00 1.00 H new ATOM 0 HG LEU A 72 0.307 -25.296 -16.044 1.00 1.00 H new ATOM 0 HD11 LEU A 72 -0.255 -25.140 -18.456 1.00 1.00 H new ATOM 0 HD12 LEU A 72 0.863 -23.840 -17.980 1.00 1.00 H new ATOM 0 HD13 LEU A 72 1.472 -25.258 -18.867 1.00 1.00 H new ATOM 0 HD21 LEU A 72 -0.122 -27.372 -17.333 1.00 1.00 H new ATOM 0 HD22 LEU A 72 1.604 -27.468 -17.756 1.00 1.00 H new ATOM 0 HD23 LEU A 72 1.092 -27.654 -16.062 1.00 1.00 H new ATOM 516 N PRO A 73 4.571 -25.593 -13.882 1.00 1.00 N ATOM 517 CA PRO A 73 5.953 -25.407 -13.489 1.00 1.00 C ATOM 518 C PRO A 73 6.802 -25.345 -14.758 1.00 1.00 C ATOM 519 O PRO A 73 6.371 -25.770 -15.808 1.00 1.00 O ATOM 520 CB PRO A 73 6.289 -26.643 -12.662 1.00 1.00 C ATOM 521 CG PRO A 73 5.283 -27.715 -13.187 1.00 1.00 C ATOM 522 CD PRO A 73 4.012 -26.927 -13.614 1.00 1.00 C ATOM 0 HA PRO A 73 6.134 -24.494 -12.921 1.00 1.00 H new ATOM 0 HB2 PRO A 73 7.323 -26.956 -12.809 1.00 1.00 H new ATOM 0 HB3 PRO A 73 6.160 -26.460 -11.595 1.00 1.00 H new ATOM 0 HG2 PRO A 73 5.703 -28.267 -14.028 1.00 1.00 H new ATOM 0 HG3 PRO A 73 5.049 -28.445 -12.412 1.00 1.00 H new ATOM 0 HD2 PRO A 73 3.539 -27.358 -14.496 1.00 1.00 H new ATOM 0 HD3 PRO A 73 3.259 -26.906 -12.827 1.00 1.00 H new ATOM 523 N TRP A 74 7.993 -24.824 -14.686 1.00 1.00 N ATOM 524 CA TRP A 74 8.832 -24.750 -15.916 1.00 1.00 C ATOM 525 C TRP A 74 9.409 -26.136 -16.235 1.00 1.00 C ATOM 526 O TRP A 74 10.183 -26.297 -17.157 1.00 1.00 O ATOM 527 CB TRP A 74 9.961 -23.739 -15.708 1.00 1.00 C ATOM 528 CG TRP A 74 9.411 -22.521 -15.029 1.00 1.00 C ATOM 529 CD1 TRP A 74 9.358 -22.333 -13.691 1.00 1.00 C ATOM 530 CD2 TRP A 74 8.831 -21.323 -15.628 1.00 1.00 C ATOM 531 NE1 TRP A 74 8.788 -21.106 -13.433 1.00 1.00 N ATOM 532 CE2 TRP A 74 8.440 -20.446 -14.589 1.00 1.00 C ATOM 533 CE3 TRP A 74 8.608 -20.915 -16.955 1.00 1.00 C ATOM 534 CZ2 TRP A 74 7.845 -19.212 -14.857 1.00 1.00 C ATOM 535 CZ3 TRP A 74 8.012 -19.673 -17.231 1.00 1.00 C ATOM 536 CH2 TRP A 74 7.628 -18.824 -16.183 1.00 1.00 C ATOM 0 H TRP A 74 8.420 -24.449 -13.839 1.00 1.00 H new ATOM 0 HA TRP A 74 8.218 -24.425 -16.756 1.00 1.00 H new ATOM 0 HB2 TRP A 74 10.754 -24.180 -15.104 1.00 1.00 H new ATOM 0 HB3 TRP A 74 10.404 -23.467 -16.666 1.00 1.00 H new ATOM 0 HD1 TRP A 74 9.706 -23.032 -12.945 1.00 1.00 H new ATOM 0 HE1 TRP A 74 8.641 -20.731 -12.496 1.00 1.00 H new ATOM 0 HE3 TRP A 74 8.898 -21.562 -17.770 1.00 1.00 H new ATOM 0 HZ2 TRP A 74 7.554 -18.561 -14.046 1.00 1.00 H new ATOM 0 HZ3 TRP A 74 7.849 -19.371 -18.255 1.00 1.00 H new ATOM 0 HH2 TRP A 74 7.166 -17.872 -16.399 1.00 1.00 H new ATOM 537 N ASN A 75 9.026 -27.142 -15.490 1.00 1.00 N ATOM 538 CA ASN A 75 9.540 -28.515 -15.762 1.00 1.00 C ATOM 539 C ASN A 75 8.404 -29.379 -16.326 1.00 1.00 C ATOM 540 O ASN A 75 8.552 -30.570 -16.517 1.00 1.00 O ATOM 541 CB ASN A 75 10.055 -29.136 -14.461 1.00 1.00 C ATOM 542 CG ASN A 75 10.696 -30.492 -14.761 1.00 1.00 C ATOM 543 OD1 ASN A 75 11.841 -30.562 -15.162 1.00 1.00 O ATOM 544 ND2 ASN A 75 10.000 -31.582 -14.582 1.00 1.00 N ATOM 0 H ASN A 75 8.379 -27.070 -14.705 1.00 1.00 H new ATOM 0 HA ASN A 75 10.354 -28.463 -16.485 1.00 1.00 H new ATOM 0 HB2 ASN A 75 10.783 -28.473 -13.993 1.00 1.00 H new ATOM 0 HB3 ASN A 75 9.234 -29.258 -13.754 1.00 1.00 H new ATOM 0 HD21 ASN A 75 10.417 -32.492 -14.779 1.00 1.00 H new ATOM 0 HD22 ASN A 75 9.039 -31.524 -14.245 1.00 1.00 H new ATOM 545 N SER A 76 7.275 -28.781 -16.604 1.00 1.00 N ATOM 546 CA SER A 76 6.132 -29.540 -17.163 1.00 1.00 C ATOM 547 C SER A 76 6.294 -29.606 -18.675 1.00 1.00 C ATOM 548 O SER A 76 6.234 -28.610 -19.357 1.00 1.00 O ATOM 549 CB SER A 76 4.823 -28.830 -16.816 1.00 1.00 C ATOM 550 OG SER A 76 4.284 -29.395 -15.627 1.00 1.00 O ATOM 0 H SER A 76 7.100 -27.786 -16.463 1.00 1.00 H new ATOM 0 HA SER A 76 6.108 -30.546 -16.744 1.00 1.00 H new ATOM 0 HB2 SER A 76 5.000 -27.763 -16.678 1.00 1.00 H new ATOM 0 HB3 SER A 76 4.112 -28.932 -17.636 1.00 1.00 H new ATOM 0 HG SER A 76 3.307 -29.327 -15.646 1.00 1.00 H new ATOM 551 N ALA A 77 6.520 -30.774 -19.182 1.00 1.00 N ATOM 552 CA ALA A 77 6.724 -30.960 -20.655 1.00 1.00 C ATOM 553 C ALA A 77 5.895 -29.949 -21.460 1.00 1.00 C ATOM 554 O ALA A 77 6.319 -29.485 -22.500 1.00 1.00 O ATOM 555 CB ALA A 77 6.304 -32.379 -21.045 1.00 1.00 C ATOM 0 H ALA A 77 6.575 -31.633 -18.635 1.00 1.00 H new ATOM 0 HA ALA A 77 7.778 -30.800 -20.881 1.00 1.00 H new ATOM 0 HB1 ALA A 77 6.450 -32.520 -22.116 1.00 1.00 H new ATOM 0 HB2 ALA A 77 6.910 -33.101 -20.498 1.00 1.00 H new ATOM 0 HB3 ALA A 77 5.252 -32.528 -20.800 1.00 1.00 H new ATOM 556 N THR A 78 4.730 -29.591 -20.993 1.00 1.00 N ATOM 557 CA THR A 78 3.907 -28.598 -21.748 1.00 1.00 C ATOM 558 C THR A 78 4.687 -27.290 -21.863 1.00 1.00 C ATOM 559 O THR A 78 4.944 -26.797 -22.945 1.00 1.00 O ATOM 560 CB THR A 78 2.602 -28.336 -20.996 1.00 1.00 C ATOM 561 OG1 THR A 78 2.281 -29.466 -20.198 1.00 1.00 O ATOM 562 CG2 THR A 78 1.475 -28.077 -21.997 1.00 1.00 C ATOM 0 H THR A 78 4.313 -29.938 -20.129 1.00 1.00 H new ATOM 0 HA THR A 78 3.683 -28.989 -22.740 1.00 1.00 H new ATOM 0 HB THR A 78 2.722 -27.462 -20.356 1.00 1.00 H new ATOM 0 HG1 THR A 78 1.445 -29.298 -19.714 1.00 1.00 H new ATOM 0 HG21 THR A 78 0.546 -27.891 -21.459 1.00 1.00 H new ATOM 0 HG22 THR A 78 1.722 -27.208 -22.606 1.00 1.00 H new ATOM 0 HG23 THR A 78 1.353 -28.948 -22.641 1.00 1.00 H new ATOM 563 N VAL A 79 5.073 -26.724 -20.755 1.00 1.00 N ATOM 564 CA VAL A 79 5.839 -25.470 -20.792 1.00 1.00 C ATOM 565 C VAL A 79 7.169 -25.738 -21.498 1.00 1.00 C ATOM 566 O VAL A 79 7.711 -24.887 -22.174 1.00 1.00 O ATOM 567 CB VAL A 79 6.072 -25.021 -19.361 1.00 1.00 C ATOM 568 CG1 VAL A 79 6.594 -26.193 -18.535 1.00 1.00 C ATOM 569 CG2 VAL A 79 7.093 -23.906 -19.352 1.00 1.00 C ATOM 0 H VAL A 79 4.884 -27.088 -19.821 1.00 1.00 H new ATOM 0 HA VAL A 79 5.304 -24.689 -21.332 1.00 1.00 H new ATOM 0 HB VAL A 79 5.135 -24.667 -18.932 1.00 1.00 H new ATOM 0 HG11 VAL A 79 6.761 -25.869 -17.508 1.00 1.00 H new ATOM 0 HG12 VAL A 79 5.862 -27.001 -18.546 1.00 1.00 H new ATOM 0 HG13 VAL A 79 7.533 -26.548 -18.960 1.00 1.00 H new ATOM 0 HG21 VAL A 79 7.265 -23.579 -18.327 1.00 1.00 H new ATOM 0 HG22 VAL A 79 8.029 -24.266 -19.780 1.00 1.00 H new ATOM 0 HG23 VAL A 79 6.722 -23.068 -19.943 1.00 1.00 H new ATOM 570 N LEU A 80 7.679 -26.934 -21.369 1.00 1.00 N ATOM 571 CA LEU A 80 8.951 -27.281 -22.059 1.00 1.00 C ATOM 572 C LEU A 80 8.735 -27.044 -23.549 1.00 1.00 C ATOM 573 O LEU A 80 9.634 -26.674 -24.279 1.00 1.00 O ATOM 574 CB LEU A 80 9.285 -28.759 -21.824 1.00 1.00 C ATOM 575 CG LEU A 80 9.655 -28.983 -20.357 1.00 1.00 C ATOM 576 CD1 LEU A 80 10.274 -30.373 -20.194 1.00 1.00 C ATOM 577 CD2 LEU A 80 10.669 -27.926 -19.918 1.00 1.00 C ATOM 0 H LEU A 80 7.268 -27.685 -20.815 1.00 1.00 H new ATOM 0 HA LEU A 80 9.773 -26.674 -21.678 1.00 1.00 H new ATOM 0 HB2 LEU A 80 8.431 -29.381 -22.091 1.00 1.00 H new ATOM 0 HB3 LEU A 80 10.112 -29.060 -22.467 1.00 1.00 H new ATOM 0 HG LEU A 80 8.758 -28.906 -19.743 1.00 1.00 H new ATOM 0 HD11 LEU A 80 10.538 -30.533 -19.149 1.00 1.00 H new ATOM 0 HD12 LEU A 80 9.555 -31.130 -20.507 1.00 1.00 H new ATOM 0 HD13 LEU A 80 11.170 -30.447 -20.810 1.00 1.00 H new ATOM 0 HD21 LEU A 80 10.932 -28.086 -18.872 1.00 1.00 H new ATOM 0 HD22 LEU A 80 11.565 -28.004 -20.534 1.00 1.00 H new ATOM 0 HD23 LEU A 80 10.234 -26.934 -20.034 1.00 1.00 H new ATOM 578 N GLN A 81 7.526 -27.246 -23.990 1.00 1.00 N ATOM 579 CA GLN A 81 7.188 -27.030 -25.420 1.00 1.00 C ATOM 580 C GLN A 81 7.091 -25.526 -25.671 1.00 1.00 C ATOM 581 O GLN A 81 7.380 -25.039 -26.746 1.00 1.00 O ATOM 582 CB GLN A 81 5.839 -27.691 -25.714 1.00 1.00 C ATOM 583 CG GLN A 81 5.978 -28.631 -26.910 1.00 1.00 C ATOM 584 CD GLN A 81 4.830 -28.384 -27.891 1.00 1.00 C ATOM 585 OE1 GLN A 81 5.003 -28.499 -29.088 1.00 1.00 O ATOM 586 NE2 GLN A 81 3.656 -28.047 -27.430 1.00 1.00 N ATOM 0 H GLN A 81 6.747 -27.556 -23.410 1.00 1.00 H new ATOM 0 HA GLN A 81 7.952 -27.463 -26.066 1.00 1.00 H new ATOM 0 HB2 GLN A 81 5.497 -28.246 -24.841 1.00 1.00 H new ATOM 0 HB3 GLN A 81 5.087 -26.930 -25.923 1.00 1.00 H new ATOM 0 HG2 GLN A 81 6.935 -28.467 -27.405 1.00 1.00 H new ATOM 0 HG3 GLN A 81 5.966 -29.668 -26.574 1.00 1.00 H new ATOM 0 HE21 GLN A 81 3.511 -27.951 -26.425 1.00 1.00 H new ATOM 0 HE22 GLN A 81 2.884 -27.880 -28.075 1.00 1.00 H new ATOM 587 N GLN A 82 6.685 -24.790 -24.673 1.00 1.00 N ATOM 588 CA GLN A 82 6.562 -23.312 -24.824 1.00 1.00 C ATOM 589 C GLN A 82 7.944 -22.703 -25.084 1.00 1.00 C ATOM 590 O GLN A 82 8.773 -23.290 -25.750 1.00 1.00 O ATOM 591 CB GLN A 82 5.968 -22.724 -23.544 1.00 1.00 C ATOM 592 CG GLN A 82 4.670 -23.460 -23.201 1.00 1.00 C ATOM 593 CD GLN A 82 3.542 -22.967 -24.110 1.00 1.00 C ATOM 594 OE1 GLN A 82 2.777 -23.756 -24.629 1.00 1.00 O ATOM 595 NE2 GLN A 82 3.403 -21.688 -24.328 1.00 1.00 N ATOM 0 H GLN A 82 6.432 -25.151 -23.753 1.00 1.00 H new ATOM 0 HA GLN A 82 5.909 -23.083 -25.666 1.00 1.00 H new ATOM 0 HB2 GLN A 82 6.680 -22.817 -22.724 1.00 1.00 H new ATOM 0 HB3 GLN A 82 5.772 -21.660 -23.676 1.00 1.00 H new ATOM 0 HG2 GLN A 82 4.806 -24.534 -23.324 1.00 1.00 H new ATOM 0 HG3 GLN A 82 4.409 -23.290 -22.156 1.00 1.00 H new ATOM 0 HE21 GLN A 82 4.044 -21.024 -23.893 1.00 1.00 H new ATOM 0 HE22 GLN A 82 2.653 -21.352 -24.933 1.00 1.00 H new ATOM 596 N THR A 83 8.196 -21.524 -24.578 1.00 1.00 N ATOM 597 CA THR A 83 9.522 -20.883 -24.817 1.00 1.00 C ATOM 598 C THR A 83 10.309 -20.764 -23.506 1.00 1.00 C ATOM 599 O THR A 83 11.251 -21.496 -23.273 1.00 1.00 O ATOM 600 CB THR A 83 9.311 -19.489 -25.415 1.00 1.00 C ATOM 601 OG1 THR A 83 8.036 -19.432 -26.039 1.00 1.00 O ATOM 602 CG2 THR A 83 10.401 -19.207 -26.450 1.00 1.00 C ATOM 0 H THR A 83 7.544 -20.980 -24.012 1.00 1.00 H new ATOM 0 HA THR A 83 10.092 -21.502 -25.510 1.00 1.00 H new ATOM 0 HB THR A 83 9.362 -18.741 -24.624 1.00 1.00 H new ATOM 0 HG1 THR A 83 7.343 -19.316 -25.356 1.00 1.00 H new ATOM 0 HG21 THR A 83 10.251 -18.215 -26.876 1.00 1.00 H new ATOM 0 HG22 THR A 83 11.379 -19.252 -25.970 1.00 1.00 H new ATOM 0 HG23 THR A 83 10.352 -19.953 -27.243 1.00 1.00 H new ATOM 603 N TYR A 84 9.949 -19.840 -22.653 1.00 1.00 N ATOM 604 CA TYR A 84 10.699 -19.677 -21.373 1.00 1.00 C ATOM 605 C TYR A 84 10.293 -20.766 -20.383 1.00 1.00 C ATOM 606 O TYR A 84 9.406 -20.590 -19.571 1.00 1.00 O ATOM 607 CB TYR A 84 10.411 -18.301 -20.777 1.00 1.00 C ATOM 608 CG TYR A 84 11.492 -17.334 -21.205 1.00 1.00 C ATOM 609 CD1 TYR A 84 11.625 -16.990 -22.558 1.00 1.00 C ATOM 610 CD2 TYR A 84 12.350 -16.774 -20.254 1.00 1.00 C ATOM 611 CE1 TYR A 84 12.620 -16.088 -22.957 1.00 1.00 C ATOM 612 CE2 TYR A 84 13.344 -15.870 -20.652 1.00 1.00 C ATOM 613 CZ TYR A 84 13.479 -15.526 -22.004 1.00 1.00 C ATOM 614 OH TYR A 84 14.458 -14.636 -22.396 1.00 1.00 O ATOM 0 H TYR A 84 9.171 -19.194 -22.787 1.00 1.00 H new ATOM 0 HA TYR A 84 11.767 -19.765 -21.575 1.00 1.00 H new ATOM 0 HB2 TYR A 84 9.436 -17.945 -21.110 1.00 1.00 H new ATOM 0 HB3 TYR A 84 10.373 -18.364 -19.689 1.00 1.00 H new ATOM 0 HD1 TYR A 84 10.960 -17.420 -23.292 1.00 1.00 H new ATOM 0 HD2 TYR A 84 12.247 -17.038 -19.212 1.00 1.00 H new ATOM 0 HE1 TYR A 84 12.725 -15.826 -23.999 1.00 1.00 H new ATOM 0 HE2 TYR A 84 14.006 -15.438 -19.916 1.00 1.00 H new ATOM 0 HH TYR A 84 14.965 -14.341 -21.611 1.00 1.00 H new ATOM 615 N HIS A 85 10.948 -21.891 -20.443 1.00 1.00 N ATOM 616 CA HIS A 85 10.623 -23.000 -19.509 1.00 1.00 C ATOM 617 C HIS A 85 11.917 -23.507 -18.871 1.00 1.00 C ATOM 618 O HIS A 85 12.852 -22.758 -18.668 1.00 1.00 O ATOM 619 CB HIS A 85 9.943 -24.128 -20.284 1.00 1.00 C ATOM 620 CG HIS A 85 10.902 -24.688 -21.294 1.00 1.00 C ATOM 621 ND1 HIS A 85 10.915 -24.277 -22.617 1.00 1.00 N ATOM 622 CD2 HIS A 85 11.883 -25.636 -21.188 1.00 1.00 C ATOM 623 CE1 HIS A 85 11.880 -24.975 -23.246 1.00 1.00 C ATOM 624 NE2 HIS A 85 12.499 -25.815 -22.421 1.00 1.00 N ATOM 0 H HIS A 85 11.699 -22.090 -21.104 1.00 1.00 H new ATOM 0 HA HIS A 85 9.949 -22.648 -18.728 1.00 1.00 H new ATOM 0 HB2 HIS A 85 9.621 -24.912 -19.599 1.00 1.00 H new ATOM 0 HB3 HIS A 85 9.049 -23.754 -20.783 1.00 1.00 H new ATOM 0 HD1 HIS A 85 10.306 -23.575 -23.037 1.00 1.00 H new ATOM 0 HD2 HIS A 85 12.140 -26.166 -20.282 1.00 1.00 H new ATOM 0 HE1 HIS A 85 12.122 -24.866 -24.293 1.00 1.00 H new ATOM 625 N ALA A 86 11.986 -24.769 -18.552 1.00 1.00 N ATOM 626 CA ALA A 86 13.228 -25.306 -17.928 1.00 1.00 C ATOM 627 C ALA A 86 14.040 -26.060 -18.981 1.00 1.00 C ATOM 628 O ALA A 86 14.411 -27.194 -18.781 1.00 1.00 O ATOM 629 CB ALA A 86 12.860 -26.265 -16.795 1.00 1.00 C ATOM 0 H ALA A 86 11.240 -25.450 -18.695 1.00 1.00 H new ATOM 0 HA ALA A 86 13.818 -24.480 -17.530 1.00 1.00 H new ATOM 0 HB1 ALA A 86 13.770 -26.657 -16.340 1.00 1.00 H new ATOM 0 HB2 ALA A 86 12.278 -25.733 -16.043 1.00 1.00 H new ATOM 0 HB3 ALA A 86 12.270 -27.090 -17.194 1.00 1.00 H new ATOM 630 N HIS A 87 14.307 -25.438 -20.101 1.00 1.00 N ATOM 631 CA HIS A 87 15.090 -26.111 -21.183 1.00 1.00 C ATOM 632 C HIS A 87 15.099 -25.210 -22.423 1.00 1.00 C ATOM 633 O HIS A 87 14.672 -25.608 -23.488 1.00 1.00 O ATOM 634 CB HIS A 87 14.430 -27.444 -21.557 1.00 1.00 C ATOM 635 CG HIS A 87 15.089 -28.582 -20.824 1.00 1.00 C ATOM 636 ND1 HIS A 87 14.674 -29.894 -20.986 1.00 1.00 N ATOM 637 CD2 HIS A 87 16.124 -28.626 -19.921 1.00 1.00 C ATOM 638 CE1 HIS A 87 15.446 -30.665 -20.200 1.00 1.00 C ATOM 639 NE2 HIS A 87 16.348 -29.943 -19.530 1.00 1.00 N ATOM 0 H HIS A 87 14.014 -24.485 -20.314 1.00 1.00 H new ATOM 0 HA HIS A 87 16.105 -26.292 -20.830 1.00 1.00 H new ATOM 0 HB2 HIS A 87 13.368 -27.412 -21.312 1.00 1.00 H new ATOM 0 HB3 HIS A 87 14.505 -27.605 -22.633 1.00 1.00 H new ATOM 0 HD2 HIS A 87 16.679 -27.769 -19.568 1.00 1.00 H new ATOM 0 HE1 HIS A 87 15.349 -31.738 -20.120 1.00 1.00 H new ATOM 0 HE2 HIS A 87 17.050 -30.283 -18.873 1.00 1.00 H new ATOM 640 N ARG A 88 15.563 -23.997 -22.296 1.00 1.00 N ATOM 641 CA ARG A 88 15.570 -23.081 -23.470 1.00 1.00 C ATOM 642 C ARG A 88 17.003 -22.597 -23.719 1.00 1.00 C ATOM 643 O ARG A 88 17.584 -22.867 -24.750 1.00 1.00 O ATOM 644 CB ARG A 88 14.605 -21.914 -23.163 1.00 1.00 C ATOM 645 CG ARG A 88 15.098 -20.565 -23.721 1.00 1.00 C ATOM 646 CD ARG A 88 14.640 -19.444 -22.783 1.00 1.00 C ATOM 647 NE ARG A 88 14.933 -19.837 -21.376 1.00 1.00 N ATOM 648 CZ ARG A 88 14.233 -19.342 -20.393 1.00 1.00 C ATOM 649 NH1 ARG A 88 14.568 -18.198 -19.862 1.00 1.00 N ATOM 650 NH2 ARG A 88 13.196 -19.992 -19.942 1.00 1.00 N ATOM 0 H ARG A 88 15.936 -23.602 -21.433 1.00 1.00 H new ATOM 0 HA ARG A 88 15.234 -23.583 -24.377 1.00 1.00 H new ATOM 0 HB2 ARG A 88 13.625 -22.139 -23.584 1.00 1.00 H new ATOM 0 HB3 ARG A 88 14.477 -21.830 -22.084 1.00 1.00 H new ATOM 0 HG2 ARG A 88 16.185 -20.566 -23.805 1.00 1.00 H new ATOM 0 HG3 ARG A 88 14.701 -20.404 -24.723 1.00 1.00 H new ATOM 0 HD2 ARG A 88 15.154 -18.514 -23.029 1.00 1.00 H new ATOM 0 HD3 ARG A 88 13.573 -19.261 -22.908 1.00 1.00 H new ATOM 0 HE ARG A 88 15.686 -20.497 -21.180 1.00 1.00 H new ATOM 0 HH11 ARG A 88 15.378 -17.689 -20.216 1.00 1.00 H new ATOM 0 HH12 ARG A 88 14.019 -17.812 -19.093 1.00 1.00 H new ATOM 0 HH21 ARG A 88 12.934 -20.886 -20.358 1.00 1.00 H new ATOM 0 HH22 ARG A 88 12.647 -19.607 -19.173 1.00 1.00 H new ATOM 651 N SER A 89 17.569 -21.891 -22.778 1.00 1.00 N ATOM 652 CA SER A 89 18.964 -21.381 -22.940 1.00 1.00 C ATOM 653 C SER A 89 19.152 -20.172 -22.029 1.00 1.00 C ATOM 654 O SER A 89 20.253 -19.829 -21.645 1.00 1.00 O ATOM 655 CB SER A 89 19.204 -20.959 -24.391 1.00 1.00 C ATOM 656 OG SER A 89 19.930 -21.980 -25.063 1.00 1.00 O ATOM 0 H SER A 89 17.122 -21.643 -21.896 1.00 1.00 H new ATOM 0 HA SER A 89 19.671 -22.168 -22.677 1.00 1.00 H new ATOM 0 HB2 SER A 89 18.253 -20.783 -24.893 1.00 1.00 H new ATOM 0 HB3 SER A 89 19.759 -20.021 -24.422 1.00 1.00 H new ATOM 0 HG SER A 89 19.342 -22.747 -25.225 1.00 1.00 H new ATOM 657 N ASP A 90 18.076 -19.532 -21.675 1.00 1.00 N ATOM 658 CA ASP A 90 18.166 -18.348 -20.778 1.00 1.00 C ATOM 659 C ASP A 90 17.360 -18.629 -19.515 1.00 1.00 C ATOM 660 O ASP A 90 17.156 -17.760 -18.690 1.00 1.00 O ATOM 661 CB ASP A 90 17.586 -17.121 -21.485 1.00 1.00 C ATOM 662 CG ASP A 90 18.250 -16.958 -22.853 1.00 1.00 C ATOM 663 OD1 ASP A 90 19.246 -17.621 -23.089 1.00 1.00 O ATOM 664 OD2 ASP A 90 17.750 -16.172 -23.642 1.00 1.00 O ATOM 0 H ASP A 90 17.131 -19.779 -21.970 1.00 1.00 H new ATOM 0 HA ASP A 90 19.208 -18.156 -20.524 1.00 1.00 H new ATOM 0 HB2 ASP A 90 16.508 -17.232 -21.603 1.00 1.00 H new ATOM 0 HB3 ASP A 90 17.750 -16.229 -20.881 1.00 1.00 H new ATOM 665 N ALA A 91 16.898 -19.838 -19.355 1.00 1.00 N ATOM 666 CA ALA A 91 16.107 -20.165 -18.143 1.00 1.00 C ATOM 667 C ALA A 91 17.038 -20.151 -16.938 1.00 1.00 C ATOM 668 O ALA A 91 16.616 -20.022 -15.806 1.00 1.00 O ATOM 669 CB ALA A 91 15.472 -21.549 -18.296 1.00 1.00 C ATOM 0 H ALA A 91 17.035 -20.608 -20.009 1.00 1.00 H new ATOM 0 HA ALA A 91 15.313 -19.431 -18.006 1.00 1.00 H new ATOM 0 HB1 ALA A 91 14.892 -21.784 -17.403 1.00 1.00 H new ATOM 0 HB2 ALA A 91 14.816 -21.554 -19.166 1.00 1.00 H new ATOM 0 HB3 ALA A 91 16.255 -22.296 -18.427 1.00 1.00 H new ATOM 670 N LEU A 92 18.307 -20.276 -17.184 1.00 1.00 N ATOM 671 CA LEU A 92 19.288 -20.261 -16.068 1.00 1.00 C ATOM 672 C LEU A 92 19.432 -18.837 -15.533 1.00 1.00 C ATOM 673 O LEU A 92 19.968 -18.616 -14.465 1.00 1.00 O ATOM 674 CB LEU A 92 20.654 -20.786 -16.522 1.00 1.00 C ATOM 675 CG LEU A 92 21.012 -20.337 -17.947 1.00 1.00 C ATOM 676 CD1 LEU A 92 20.388 -21.285 -18.978 1.00 1.00 C ATOM 677 CD2 LEU A 92 20.543 -18.898 -18.210 1.00 1.00 C ATOM 0 H LEU A 92 18.710 -20.389 -18.114 1.00 1.00 H new ATOM 0 HA LEU A 92 18.920 -20.917 -15.279 1.00 1.00 H new ATOM 0 HB2 LEU A 92 21.422 -20.438 -15.831 1.00 1.00 H new ATOM 0 HB3 LEU A 92 20.655 -21.875 -16.477 1.00 1.00 H new ATOM 0 HG LEU A 92 22.097 -20.367 -18.043 1.00 1.00 H new ATOM 0 HD11 LEU A 92 20.651 -20.954 -19.983 1.00 1.00 H new ATOM 0 HD12 LEU A 92 20.765 -22.295 -18.819 1.00 1.00 H new ATOM 0 HD13 LEU A 92 19.304 -21.281 -18.866 1.00 1.00 H new ATOM 0 HD21 LEU A 92 20.810 -18.608 -19.226 1.00 1.00 H new ATOM 0 HD22 LEU A 92 19.461 -18.840 -18.089 1.00 1.00 H new ATOM 0 HD23 LEU A 92 21.024 -18.223 -17.502 1.00 1.00 H new ATOM 678 N GLN A 93 18.948 -17.870 -16.261 1.00 1.00 N ATOM 679 CA GLN A 93 19.045 -16.463 -15.791 1.00 1.00 C ATOM 680 C GLN A 93 17.847 -16.171 -14.890 1.00 1.00 C ATOM 681 O GLN A 93 17.907 -15.349 -13.997 1.00 1.00 O ATOM 682 CB GLN A 93 19.038 -15.521 -16.997 1.00 1.00 C ATOM 683 CG GLN A 93 20.387 -14.804 -17.092 1.00 1.00 C ATOM 684 CD GLN A 93 20.265 -13.404 -16.487 1.00 1.00 C ATOM 685 OE1 GLN A 93 20.509 -12.418 -17.154 1.00 1.00 O ATOM 686 NE2 GLN A 93 19.896 -13.274 -15.242 1.00 1.00 N ATOM 0 H GLN A 93 18.489 -17.995 -17.163 1.00 1.00 H new ATOM 0 HA GLN A 93 19.970 -16.312 -15.234 1.00 1.00 H new ATOM 0 HB2 GLN A 93 18.848 -16.084 -17.911 1.00 1.00 H new ATOM 0 HB3 GLN A 93 18.233 -14.793 -16.898 1.00 1.00 H new ATOM 0 HG2 GLN A 93 21.152 -15.374 -16.565 1.00 1.00 H new ATOM 0 HG3 GLN A 93 20.702 -14.736 -18.133 1.00 1.00 H new ATOM 0 HE21 GLN A 93 19.691 -14.101 -14.682 1.00 1.00 H new ATOM 0 HE22 GLN A 93 19.812 -12.345 -14.829 1.00 1.00 H new ATOM 687 N LEU A 94 16.756 -16.851 -15.120 1.00 1.00 N ATOM 688 CA LEU A 94 15.545 -16.635 -14.285 1.00 1.00 C ATOM 689 C LEU A 94 15.328 -17.847 -13.383 1.00 1.00 C ATOM 690 O LEU A 94 14.392 -17.893 -12.610 1.00 1.00 O ATOM 691 CB LEU A 94 14.320 -16.486 -15.187 1.00 1.00 C ATOM 692 CG LEU A 94 14.521 -15.335 -16.166 1.00 1.00 C ATOM 693 CD1 LEU A 94 14.998 -14.093 -15.412 1.00 1.00 C ATOM 694 CD2 LEU A 94 15.561 -15.725 -17.217 1.00 1.00 C ATOM 0 H LEU A 94 16.654 -17.550 -15.855 1.00 1.00 H new ATOM 0 HA LEU A 94 15.683 -15.735 -13.686 1.00 1.00 H new ATOM 0 HB2 LEU A 94 14.148 -17.413 -15.735 1.00 1.00 H new ATOM 0 HB3 LEU A 94 13.433 -16.306 -14.580 1.00 1.00 H new ATOM 0 HG LEU A 94 13.574 -15.117 -16.659 1.00 1.00 H new ATOM 0 HD11 LEU A 94 15.140 -13.273 -16.115 1.00 1.00 H new ATOM 0 HD12 LEU A 94 14.252 -13.809 -14.670 1.00 1.00 H new ATOM 0 HD13 LEU A 94 15.942 -14.311 -14.913 1.00 1.00 H new ATOM 0 HD21 LEU A 94 15.701 -14.899 -17.914 1.00 1.00 H new ATOM 0 HD22 LEU A 94 16.508 -15.950 -16.726 1.00 1.00 H new ATOM 0 HD23 LEU A 94 15.216 -16.605 -17.761 1.00 1.00 H new ATOM 695 N GLY A 95 16.166 -18.843 -13.483 1.00 1.00 N ATOM 696 CA GLY A 95 15.966 -20.048 -12.634 1.00 1.00 C ATOM 697 C GLY A 95 14.518 -20.516 -12.794 1.00 1.00 C ATOM 698 O GLY A 95 13.717 -20.412 -11.886 1.00 1.00 O ATOM 0 H GLY A 95 16.971 -18.874 -14.109 1.00 1.00 H new ATOM 0 HA2 GLY A 95 16.655 -20.839 -12.930 1.00 1.00 H new ATOM 0 HA3 GLY A 95 16.176 -19.816 -11.590 1.00 1.00 H new ATOM 699 N LEU A 96 14.175 -21.023 -13.948 1.00 1.00 N ATOM 700 CA LEU A 96 12.778 -21.489 -14.177 1.00 1.00 C ATOM 701 C LEU A 96 12.690 -22.988 -13.871 1.00 1.00 C ATOM 702 O LEU A 96 11.688 -23.477 -13.392 1.00 1.00 O ATOM 703 CB LEU A 96 12.392 -21.250 -15.646 1.00 1.00 C ATOM 704 CG LEU A 96 12.308 -19.744 -15.935 1.00 1.00 C ATOM 705 CD1 LEU A 96 13.336 -19.374 -16.990 1.00 1.00 C ATOM 706 CD2 LEU A 96 10.933 -19.389 -16.490 1.00 1.00 C ATOM 0 H LEU A 96 14.804 -21.134 -14.743 1.00 1.00 H new ATOM 0 HA LEU A 96 12.099 -20.938 -13.527 1.00 1.00 H new ATOM 0 HB2 LEU A 96 13.128 -21.713 -16.303 1.00 1.00 H new ATOM 0 HB3 LEU A 96 11.433 -21.722 -15.859 1.00 1.00 H new ATOM 0 HG LEU A 96 12.490 -19.205 -15.005 1.00 1.00 H new ATOM 0 HD11 LEU A 96 13.277 -18.305 -17.196 1.00 1.00 H new ATOM 0 HD12 LEU A 96 14.334 -19.619 -16.627 1.00 1.00 H new ATOM 0 HD13 LEU A 96 13.135 -19.931 -17.905 1.00 1.00 H new ATOM 0 HD21 LEU A 96 10.887 -18.319 -16.691 1.00 1.00 H new ATOM 0 HD22 LEU A 96 10.761 -19.939 -17.415 1.00 1.00 H new ATOM 0 HD23 LEU A 96 10.167 -19.655 -15.762 1.00 1.00 H new ATOM 707 N GLY A 97 13.733 -23.720 -14.150 1.00 1.00 N ATOM 708 CA GLY A 97 13.713 -25.189 -13.887 1.00 1.00 C ATOM 709 C GLY A 97 13.304 -25.477 -12.439 1.00 1.00 C ATOM 710 O GLY A 97 13.552 -24.698 -11.540 1.00 1.00 O ATOM 0 H GLY A 97 14.601 -23.364 -14.550 1.00 1.00 H new ATOM 0 HA2 GLY A 97 13.017 -25.676 -14.570 1.00 1.00 H new ATOM 0 HA3 GLY A 97 14.699 -25.611 -14.082 1.00 1.00 H new ATOM 711 N LYS A 98 12.685 -26.607 -12.216 1.00 1.00 N ATOM 712 CA LYS A 98 12.258 -26.987 -10.837 1.00 1.00 C ATOM 713 C LYS A 98 11.695 -25.774 -10.093 1.00 1.00 C ATOM 714 O LYS A 98 12.321 -25.242 -9.198 1.00 1.00 O ATOM 715 CB LYS A 98 13.461 -27.536 -10.068 1.00 1.00 C ATOM 716 CG LYS A 98 12.972 -28.383 -8.891 1.00 1.00 C ATOM 717 CD LYS A 98 14.103 -29.295 -8.412 1.00 1.00 C ATOM 718 CE LYS A 98 14.443 -30.306 -9.508 1.00 1.00 C ATOM 719 NZ LYS A 98 15.238 -31.423 -8.924 1.00 1.00 N ATOM 0 H LYS A 98 12.455 -27.290 -12.938 1.00 1.00 H new ATOM 0 HA LYS A 98 11.480 -27.747 -10.909 1.00 1.00 H new ATOM 0 HB2 LYS A 98 14.084 -28.138 -10.729 1.00 1.00 H new ATOM 0 HB3 LYS A 98 14.080 -26.715 -9.706 1.00 1.00 H new ATOM 0 HG2 LYS A 98 12.642 -27.737 -8.077 1.00 1.00 H new ATOM 0 HG3 LYS A 98 12.112 -28.981 -9.192 1.00 1.00 H new ATOM 0 HD2 LYS A 98 14.983 -28.701 -8.165 1.00 1.00 H new ATOM 0 HD3 LYS A 98 13.804 -29.816 -7.502 1.00 1.00 H new ATOM 0 HE2 LYS A 98 13.528 -30.693 -9.957 1.00 1.00 H new ATOM 0 HE3 LYS A 98 15.008 -29.820 -10.303 1.00 1.00 H new ATOM 0 HZ1 LYS A 98 15.470 -32.111 -9.669 1.00 1.00 H new ATOM 0 HZ2 LYS A 98 16.117 -31.047 -8.515 1.00 1.00 H new ATOM 0 HZ3 LYS A 98 14.683 -31.892 -8.180 1.00 1.00 H new ATOM 720 N HIS A 99 10.515 -25.338 -10.446 1.00 1.00 N ATOM 721 CA HIS A 99 9.916 -24.164 -9.744 1.00 1.00 C ATOM 722 C HIS A 99 8.709 -23.652 -10.552 1.00 1.00 C ATOM 723 O HIS A 99 8.462 -24.096 -11.655 1.00 1.00 O ATOM 724 CB HIS A 99 11.002 -23.084 -9.586 1.00 1.00 C ATOM 725 CG HIS A 99 10.410 -21.707 -9.654 1.00 1.00 C ATOM 726 ND1 HIS A 99 10.103 -21.106 -10.858 1.00 1.00 N ATOM 727 CD2 HIS A 99 10.070 -20.803 -8.682 1.00 1.00 C ATOM 728 CE1 HIS A 99 9.598 -19.895 -10.589 1.00 1.00 C ATOM 729 NE2 HIS A 99 9.557 -19.656 -9.277 1.00 1.00 N ATOM 0 H HIS A 99 9.942 -25.742 -11.187 1.00 1.00 H new ATOM 0 HA HIS A 99 9.557 -24.439 -8.752 1.00 1.00 H new ATOM 0 HB2 HIS A 99 11.514 -23.216 -8.633 1.00 1.00 H new ATOM 0 HB3 HIS A 99 11.751 -23.200 -10.369 1.00 1.00 H new ATOM 0 HD2 HIS A 99 10.183 -20.957 -7.619 1.00 1.00 H new ATOM 0 HE1 HIS A 99 9.265 -19.197 -11.343 1.00 1.00 H new ATOM 0 HE2 HIS A 99 9.221 -18.813 -8.811 1.00 1.00 H new ATOM 730 N ASN A 100 7.941 -22.739 -10.006 1.00 1.00 N ATOM 731 CA ASN A 100 6.744 -22.231 -10.749 1.00 1.00 C ATOM 732 C ASN A 100 6.645 -20.704 -10.634 1.00 1.00 C ATOM 733 O ASN A 100 7.199 -19.979 -11.428 1.00 1.00 O ATOM 734 CB ASN A 100 5.477 -22.865 -10.167 1.00 1.00 C ATOM 735 CG ASN A 100 5.665 -23.110 -8.668 1.00 1.00 C ATOM 736 OD1 ASN A 100 6.599 -23.773 -8.262 1.00 1.00 O ATOM 737 ND2 ASN A 100 4.810 -22.601 -7.824 1.00 1.00 N ATOM 0 H ASN A 100 8.090 -22.326 -9.085 1.00 1.00 H new ATOM 0 HA ASN A 100 6.846 -22.499 -11.801 1.00 1.00 H new ATOM 0 HB2 ASN A 100 4.622 -22.210 -10.334 1.00 1.00 H new ATOM 0 HB3 ASN A 100 5.263 -23.805 -10.675 1.00 1.00 H new ATOM 0 HD21 ASN A 100 4.925 -22.760 -6.823 1.00 1.00 H new ATOM 0 HD22 ASN A 100 4.026 -22.045 -8.165 1.00 1.00 H new ATOM 738 N TYR A 101 5.931 -20.206 -9.660 1.00 1.00 N ATOM 739 CA TYR A 101 5.802 -18.723 -9.517 1.00 1.00 C ATOM 740 C TYR A 101 5.606 -18.090 -10.900 1.00 1.00 C ATOM 741 O TYR A 101 5.001 -18.673 -11.778 1.00 1.00 O ATOM 742 CB TYR A 101 7.079 -18.164 -8.880 1.00 1.00 C ATOM 743 CG TYR A 101 7.380 -18.894 -7.586 1.00 1.00 C ATOM 744 CD1 TYR A 101 6.413 -19.724 -6.998 1.00 1.00 C ATOM 745 CD2 TYR A 101 8.633 -18.742 -6.975 1.00 1.00 C ATOM 746 CE1 TYR A 101 6.700 -20.400 -5.805 1.00 1.00 C ATOM 747 CE2 TYR A 101 8.920 -19.420 -5.783 1.00 1.00 C ATOM 748 CZ TYR A 101 7.954 -20.249 -5.199 1.00 1.00 C ATOM 749 OH TYR A 101 8.237 -20.916 -4.025 1.00 1.00 O ATOM 0 H TYR A 101 5.434 -20.756 -8.960 1.00 1.00 H new ATOM 0 HA TYR A 101 4.944 -18.491 -8.886 1.00 1.00 H new ATOM 0 HB2 TYR A 101 7.916 -18.272 -9.570 1.00 1.00 H new ATOM 0 HB3 TYR A 101 6.961 -17.098 -8.686 1.00 1.00 H new ATOM 0 HD1 TYR A 101 5.447 -19.842 -7.466 1.00 1.00 H new ATOM 0 HD2 TYR A 101 9.378 -18.101 -7.424 1.00 1.00 H new ATOM 0 HE1 TYR A 101 5.955 -21.037 -5.353 1.00 1.00 H new ATOM 0 HE2 TYR A 101 9.886 -19.303 -5.315 1.00 1.00 H new ATOM 0 HH TYR A 101 9.150 -20.702 -3.739 1.00 1.00 H new ATOM 750 N CYS A 102 6.122 -16.907 -11.106 1.00 1.00 N ATOM 751 CA CYS A 102 5.976 -16.249 -12.436 1.00 1.00 C ATOM 752 C CYS A 102 7.274 -15.514 -12.784 1.00 1.00 C ATOM 753 O CYS A 102 7.887 -14.886 -11.944 1.00 1.00 O ATOM 754 CB CYS A 102 4.816 -15.252 -12.400 1.00 1.00 C ATOM 755 SG CYS A 102 4.569 -14.663 -10.707 1.00 1.00 S ATOM 0 H CYS A 102 6.638 -16.369 -10.410 1.00 1.00 H new ATOM 0 HA CYS A 102 5.770 -17.007 -13.192 1.00 1.00 H new ATOM 0 HB2 CYS A 102 5.026 -14.411 -13.061 1.00 1.00 H new ATOM 0 HB3 CYS A 102 3.905 -15.726 -12.767 1.00 1.00 H new ATOM 756 N ARG A 103 7.700 -15.594 -14.015 1.00 1.00 N ATOM 757 CA ARG A 103 8.961 -14.908 -14.419 1.00 1.00 C ATOM 758 C ARG A 103 8.657 -13.868 -15.505 1.00 1.00 C ATOM 759 O ARG A 103 7.659 -13.953 -16.193 1.00 1.00 O ATOM 760 CB ARG A 103 9.940 -15.950 -14.964 1.00 1.00 C ATOM 761 CG ARG A 103 11.140 -16.071 -14.023 1.00 1.00 C ATOM 762 CD ARG A 103 10.650 -16.253 -12.585 1.00 1.00 C ATOM 763 NE ARG A 103 11.769 -16.761 -11.741 1.00 1.00 N ATOM 764 CZ ARG A 103 12.361 -15.964 -10.894 1.00 1.00 C ATOM 765 NH1 ARG A 103 13.372 -15.235 -11.281 1.00 1.00 N ATOM 766 NH2 ARG A 103 11.943 -15.895 -9.659 1.00 1.00 N ATOM 0 H ARG A 103 7.228 -16.106 -14.760 1.00 1.00 H new ATOM 0 HA ARG A 103 9.400 -14.405 -13.557 1.00 1.00 H new ATOM 0 HB2 ARG A 103 9.443 -16.915 -15.061 1.00 1.00 H new ATOM 0 HB3 ARG A 103 10.275 -15.663 -15.961 1.00 1.00 H new ATOM 0 HG2 ARG A 103 11.761 -16.918 -14.316 1.00 1.00 H new ATOM 0 HG3 ARG A 103 11.763 -15.179 -14.095 1.00 1.00 H new ATOM 0 HD2 ARG A 103 10.284 -15.305 -12.191 1.00 1.00 H new ATOM 0 HD3 ARG A 103 9.814 -16.952 -12.560 1.00 1.00 H new ATOM 0 HE ARG A 103 12.072 -17.731 -11.826 1.00 1.00 H new ATOM 0 HH11 ARG A 103 13.699 -15.288 -12.246 1.00 1.00 H new ATOM 0 HH12 ARG A 103 13.835 -14.612 -10.619 1.00 1.00 H new ATOM 0 HH21 ARG A 103 11.153 -16.464 -9.355 1.00 1.00 H new ATOM 0 HH22 ARG A 103 12.406 -15.272 -8.998 1.00 1.00 H new ATOM 767 N ASN A 104 9.507 -12.885 -15.663 1.00 1.00 N ATOM 768 CA ASN A 104 9.256 -11.844 -16.704 1.00 1.00 C ATOM 769 C ASN A 104 10.578 -11.427 -17.372 1.00 1.00 C ATOM 770 O ASN A 104 10.868 -10.252 -17.478 1.00 1.00 O ATOM 771 CB ASN A 104 8.618 -10.619 -16.046 1.00 1.00 C ATOM 772 CG ASN A 104 7.761 -9.875 -17.070 1.00 1.00 C ATOM 773 OD1 ASN A 104 6.593 -10.169 -17.232 1.00 1.00 O ATOM 774 ND2 ASN A 104 8.295 -8.914 -17.774 1.00 1.00 N ATOM 0 H ASN A 104 10.360 -12.759 -15.118 1.00 1.00 H new ATOM 0 HA ASN A 104 8.589 -12.254 -17.462 1.00 1.00 H new ATOM 0 HB2 ASN A 104 8.005 -10.927 -15.199 1.00 1.00 H new ATOM 0 HB3 ASN A 104 9.392 -9.958 -15.656 1.00 1.00 H new ATOM 0 HD21 ASN A 104 7.732 -8.410 -18.459 1.00 1.00 H new ATOM 0 HD22 ASN A 104 9.275 -8.667 -17.639 1.00 1.00 H new ATOM 775 N PRO A 105 11.338 -12.404 -17.804 1.00 1.00 N ATOM 776 CA PRO A 105 12.619 -12.160 -18.462 1.00 1.00 C ATOM 777 C PRO A 105 12.415 -11.588 -19.868 1.00 1.00 C ATOM 778 O PRO A 105 13.354 -11.166 -20.515 1.00 1.00 O ATOM 779 CB PRO A 105 13.270 -13.534 -18.543 1.00 1.00 C ATOM 780 CG PRO A 105 12.056 -14.513 -18.523 1.00 1.00 C ATOM 781 CD PRO A 105 10.970 -13.819 -17.659 1.00 1.00 C ATOM 0 HA PRO A 105 13.226 -11.435 -17.920 1.00 1.00 H new ATOM 0 HB2 PRO A 105 13.861 -13.645 -19.452 1.00 1.00 H new ATOM 0 HB3 PRO A 105 13.942 -13.710 -17.703 1.00 1.00 H new ATOM 0 HG2 PRO A 105 11.690 -14.704 -19.532 1.00 1.00 H new ATOM 0 HG3 PRO A 105 12.337 -15.477 -18.098 1.00 1.00 H new ATOM 0 HD2 PRO A 105 9.964 -14.020 -18.026 1.00 1.00 H new ATOM 0 HD3 PRO A 105 11.002 -14.146 -16.620 1.00 1.00 H new ATOM 782 N ASP A 106 11.205 -11.576 -20.353 1.00 1.00 N ATOM 783 CA ASP A 106 10.963 -11.039 -21.720 1.00 1.00 C ATOM 784 C ASP A 106 10.515 -9.574 -21.622 1.00 1.00 C ATOM 785 O ASP A 106 11.081 -8.797 -20.879 1.00 1.00 O ATOM 786 CB ASP A 106 9.888 -11.883 -22.408 1.00 1.00 C ATOM 787 CG ASP A 106 10.005 -11.722 -23.925 1.00 1.00 C ATOM 788 OD1 ASP A 106 10.935 -11.065 -24.361 1.00 1.00 O ATOM 789 OD2 ASP A 106 9.162 -12.259 -24.625 1.00 1.00 O ATOM 0 H ASP A 106 10.376 -11.914 -19.864 1.00 1.00 H new ATOM 0 HA ASP A 106 11.880 -11.085 -22.307 1.00 1.00 H new ATOM 0 HB2 ASP A 106 10.003 -12.932 -22.133 1.00 1.00 H new ATOM 0 HB3 ASP A 106 8.898 -11.572 -22.074 1.00 1.00 H new ATOM 790 N ASN A 107 9.512 -9.183 -22.364 1.00 1.00 N ATOM 791 CA ASN A 107 9.054 -7.766 -22.303 1.00 1.00 C ATOM 792 C ASN A 107 7.636 -7.703 -21.733 1.00 1.00 C ATOM 793 O ASN A 107 6.662 -7.835 -22.448 1.00 1.00 O ATOM 794 CB ASN A 107 9.064 -7.168 -23.712 1.00 1.00 C ATOM 795 CG ASN A 107 8.597 -8.223 -24.717 1.00 1.00 C ATOM 796 OD1 ASN A 107 7.414 -8.455 -24.866 1.00 1.00 O ATOM 797 ND2 ASN A 107 9.484 -8.876 -25.417 1.00 1.00 N ATOM 0 H ASN A 107 8.993 -9.782 -23.006 1.00 1.00 H new ATOM 0 HA ASN A 107 9.725 -7.198 -21.659 1.00 1.00 H new ATOM 0 HB2 ASN A 107 8.411 -6.296 -23.753 1.00 1.00 H new ATOM 0 HB3 ASN A 107 10.067 -6.827 -23.967 1.00 1.00 H new ATOM 0 HD21 ASN A 107 9.184 -9.582 -26.090 1.00 1.00 H new ATOM 0 HD22 ASN A 107 10.477 -8.681 -25.291 1.00 1.00 H new ATOM 798 N ARG A 108 7.512 -7.498 -20.451 1.00 1.00 N ATOM 799 CA ARG A 108 6.158 -7.420 -19.836 1.00 1.00 C ATOM 800 C ARG A 108 6.232 -6.606 -18.542 1.00 1.00 C ATOM 801 O ARG A 108 7.288 -6.432 -17.967 1.00 1.00 O ATOM 802 CB ARG A 108 5.656 -8.832 -19.524 1.00 1.00 C ATOM 803 CG ARG A 108 4.867 -9.369 -20.720 1.00 1.00 C ATOM 804 CD ARG A 108 3.597 -10.062 -20.223 1.00 1.00 C ATOM 805 NE ARG A 108 3.463 -11.388 -20.889 1.00 1.00 N ATOM 806 CZ ARG A 108 2.567 -11.562 -21.822 1.00 1.00 C ATOM 807 NH1 ARG A 108 1.315 -11.278 -21.585 1.00 1.00 N ATOM 808 NH2 ARG A 108 2.923 -12.019 -22.992 1.00 1.00 N ATOM 0 H ARG A 108 8.291 -7.381 -19.802 1.00 1.00 H new ATOM 0 HA ARG A 108 5.471 -6.937 -20.530 1.00 1.00 H new ATOM 0 HB2 ARG A 108 6.498 -9.489 -19.306 1.00 1.00 H new ATOM 0 HB3 ARG A 108 5.025 -8.817 -18.635 1.00 1.00 H new ATOM 0 HG2 ARG A 108 4.609 -8.553 -21.395 1.00 1.00 H new ATOM 0 HG3 ARG A 108 5.479 -10.070 -21.288 1.00 1.00 H new ATOM 0 HD2 ARG A 108 3.638 -10.189 -19.141 1.00 1.00 H new ATOM 0 HD3 ARG A 108 2.725 -9.445 -20.438 1.00 1.00 H new ATOM 0 HE ARG A 108 4.071 -12.160 -20.616 1.00 1.00 H new ATOM 0 HH11 ARG A 108 1.037 -10.920 -20.671 1.00 1.00 H new ATOM 0 HH12 ARG A 108 0.614 -11.414 -22.314 1.00 1.00 H new ATOM 0 HH21 ARG A 108 3.901 -12.240 -23.177 1.00 1.00 H new ATOM 0 HH22 ARG A 108 2.223 -12.155 -23.721 1.00 1.00 H new ATOM 809 N ARG A 109 5.120 -6.104 -18.080 1.00 1.00 N ATOM 810 CA ARG A 109 5.130 -5.301 -16.824 1.00 1.00 C ATOM 811 C ARG A 109 4.979 -6.234 -15.621 1.00 1.00 C ATOM 812 O ARG A 109 5.836 -6.298 -14.761 1.00 1.00 O ATOM 813 CB ARG A 109 3.969 -4.305 -16.845 1.00 1.00 C ATOM 814 CG ARG A 109 4.170 -3.307 -17.987 1.00 1.00 C ATOM 815 CD ARG A 109 2.867 -2.544 -18.233 1.00 1.00 C ATOM 816 NE ARG A 109 3.040 -1.121 -17.825 1.00 1.00 N ATOM 817 CZ ARG A 109 2.502 -0.690 -16.717 1.00 1.00 C ATOM 818 NH1 ARG A 109 1.213 -0.501 -16.649 1.00 1.00 N ATOM 819 NH2 ARG A 109 3.254 -0.447 -15.678 1.00 1.00 N ATOM 0 H ARG A 109 4.205 -6.215 -18.517 1.00 1.00 H new ATOM 0 HA ARG A 109 6.072 -4.759 -16.748 1.00 1.00 H new ATOM 0 HB2 ARG A 109 3.025 -4.834 -16.973 1.00 1.00 H new ATOM 0 HB3 ARG A 109 3.912 -3.777 -15.893 1.00 1.00 H new ATOM 0 HG2 ARG A 109 4.971 -2.610 -17.739 1.00 1.00 H new ATOM 0 HG3 ARG A 109 4.474 -3.831 -18.893 1.00 1.00 H new ATOM 0 HD2 ARG A 109 2.593 -2.601 -19.287 1.00 1.00 H new ATOM 0 HD3 ARG A 109 2.054 -2.999 -17.667 1.00 1.00 H new ATOM 0 HE ARG A 109 3.579 -0.484 -18.412 1.00 1.00 H new ATOM 0 HH11 ARG A 109 0.626 -0.690 -17.462 1.00 1.00 H new ATOM 0 HH12 ARG A 109 0.792 -0.164 -15.783 1.00 1.00 H new ATOM 0 HH21 ARG A 109 4.262 -0.594 -15.732 1.00 1.00 H new ATOM 0 HH22 ARG A 109 2.834 -0.110 -14.812 1.00 1.00 H new ATOM 820 N ARG A 110 3.896 -6.957 -15.552 1.00 1.00 N ATOM 821 CA ARG A 110 3.691 -7.884 -14.403 1.00 1.00 C ATOM 822 C ARG A 110 4.333 -9.239 -14.717 1.00 1.00 C ATOM 823 O ARG A 110 4.515 -9.583 -15.868 1.00 1.00 O ATOM 824 CB ARG A 110 2.192 -8.075 -14.165 1.00 1.00 C ATOM 825 CG ARG A 110 1.563 -6.738 -13.767 1.00 1.00 C ATOM 826 CD ARG A 110 0.073 -6.753 -14.109 1.00 1.00 C ATOM 827 NE ARG A 110 -0.645 -5.775 -13.246 1.00 1.00 N ATOM 828 CZ ARG A 110 -1.948 -5.710 -13.278 1.00 1.00 C ATOM 829 NH1 ARG A 110 -2.637 -6.687 -13.801 1.00 1.00 N ATOM 830 NH2 ARG A 110 -2.561 -4.668 -12.788 1.00 1.00 N ATOM 0 H ARG A 110 3.144 -6.946 -16.241 1.00 1.00 H new ATOM 0 HA ARG A 110 4.152 -7.462 -13.510 1.00 1.00 H new ATOM 0 HB2 ARG A 110 1.716 -8.459 -15.067 1.00 1.00 H new ATOM 0 HB3 ARG A 110 2.029 -8.814 -13.380 1.00 1.00 H new ATOM 0 HG2 ARG A 110 1.700 -6.563 -12.700 1.00 1.00 H new ATOM 0 HG3 ARG A 110 2.059 -5.921 -14.291 1.00 1.00 H new ATOM 0 HD2 ARG A 110 -0.072 -6.502 -15.160 1.00 1.00 H new ATOM 0 HD3 ARG A 110 -0.335 -7.753 -13.961 1.00 1.00 H new ATOM 0 HE ARG A 110 -0.118 -5.156 -12.630 1.00 1.00 H new ATOM 0 HH11 ARG A 110 -2.157 -7.501 -14.185 1.00 1.00 H new ATOM 0 HH12 ARG A 110 -3.655 -6.636 -13.826 1.00 1.00 H new ATOM 0 HH21 ARG A 110 -2.022 -3.904 -12.380 1.00 1.00 H new ATOM 0 HH22 ARG A 110 -3.579 -4.617 -12.813 1.00 1.00 H new ATOM 831 N PRO A 111 4.655 -9.969 -13.679 1.00 1.00 N ATOM 832 CA PRO A 111 5.270 -11.280 -13.820 1.00 1.00 C ATOM 833 C PRO A 111 4.244 -12.290 -14.342 1.00 1.00 C ATOM 834 O PRO A 111 3.171 -12.438 -13.793 1.00 1.00 O ATOM 835 CB PRO A 111 5.719 -11.645 -12.409 1.00 1.00 C ATOM 836 CG PRO A 111 4.758 -10.821 -11.496 1.00 1.00 C ATOM 837 CD PRO A 111 4.425 -9.528 -12.294 1.00 1.00 C ATOM 0 HA PRO A 111 6.099 -11.282 -14.528 1.00 1.00 H new ATOM 0 HB2 PRO A 111 5.629 -12.715 -12.224 1.00 1.00 H new ATOM 0 HB3 PRO A 111 6.762 -11.378 -12.238 1.00 1.00 H new ATOM 0 HG2 PRO A 111 3.853 -11.385 -11.270 1.00 1.00 H new ATOM 0 HG3 PRO A 111 5.231 -10.582 -10.544 1.00 1.00 H new ATOM 0 HD2 PRO A 111 3.398 -9.200 -12.133 1.00 1.00 H new ATOM 0 HD3 PRO A 111 5.072 -8.696 -12.016 1.00 1.00 H new ATOM 838 N TRP A 112 4.566 -12.984 -15.400 1.00 1.00 N ATOM 839 CA TRP A 112 3.610 -13.982 -15.959 1.00 1.00 C ATOM 840 C TRP A 112 4.159 -15.391 -15.745 1.00 1.00 C ATOM 841 O TRP A 112 5.298 -15.573 -15.365 1.00 1.00 O ATOM 842 CB TRP A 112 3.434 -13.732 -17.455 1.00 1.00 C ATOM 843 CG TRP A 112 4.763 -13.423 -18.061 1.00 1.00 C ATOM 844 CD1 TRP A 112 5.247 -12.179 -18.270 1.00 1.00 C ATOM 845 CD2 TRP A 112 5.785 -14.348 -18.531 1.00 1.00 C ATOM 846 NE1 TRP A 112 6.501 -12.279 -18.845 1.00 1.00 N ATOM 847 CE2 TRP A 112 6.878 -13.596 -19.025 1.00 1.00 C ATOM 848 CE3 TRP A 112 5.869 -15.753 -18.578 1.00 1.00 C ATOM 849 CZ2 TRP A 112 8.014 -14.216 -19.548 1.00 1.00 C ATOM 850 CZ3 TRP A 112 7.012 -16.381 -19.103 1.00 1.00 C ATOM 851 CH2 TRP A 112 8.082 -15.613 -19.587 1.00 1.00 C ATOM 0 H TRP A 112 5.450 -12.903 -15.902 1.00 1.00 H new ATOM 0 HA TRP A 112 2.649 -13.885 -15.455 1.00 1.00 H new ATOM 0 HB2 TRP A 112 2.998 -14.609 -17.934 1.00 1.00 H new ATOM 0 HB3 TRP A 112 2.745 -12.904 -17.619 1.00 1.00 H new ATOM 0 HD1 TRP A 112 4.738 -11.258 -18.028 1.00 1.00 H new ATOM 0 HE1 TRP A 112 7.077 -11.478 -19.104 1.00 1.00 H new ATOM 0 HE3 TRP A 112 5.050 -16.352 -18.208 1.00 1.00 H new ATOM 0 HZ2 TRP A 112 8.835 -13.621 -19.920 1.00 1.00 H new ATOM 0 HZ3 TRP A 112 7.067 -17.459 -19.134 1.00 1.00 H new ATOM 0 HH2 TRP A 112 8.958 -16.100 -19.990 1.00 1.00 H new ATOM 852 N CYS A 113 3.359 -16.390 -15.990 1.00 1.00 N ATOM 853 CA CYS A 113 3.836 -17.788 -15.805 1.00 1.00 C ATOM 854 C CYS A 113 3.140 -18.694 -16.819 1.00 1.00 C ATOM 855 O CYS A 113 1.980 -18.517 -17.126 1.00 1.00 O ATOM 856 CB CYS A 113 3.503 -18.260 -14.389 1.00 1.00 C ATOM 857 SG CYS A 113 1.727 -18.595 -14.265 1.00 1.00 S ATOM 0 H CYS A 113 2.395 -16.299 -16.311 1.00 1.00 H new ATOM 0 HA CYS A 113 4.915 -17.829 -15.955 1.00 1.00 H new ATOM 0 HB2 CYS A 113 4.071 -19.159 -14.151 1.00 1.00 H new ATOM 0 HB3 CYS A 113 3.792 -17.500 -13.663 1.00 1.00 H new ATOM 858 N TYR A 114 3.839 -19.665 -17.340 1.00 1.00 N ATOM 859 CA TYR A 114 3.215 -20.585 -18.331 1.00 1.00 C ATOM 860 C TYR A 114 2.093 -21.372 -17.650 1.00 1.00 C ATOM 861 O TYR A 114 2.296 -22.467 -17.167 1.00 1.00 O ATOM 862 CB TYR A 114 4.277 -21.552 -18.864 1.00 1.00 C ATOM 863 CG TYR A 114 4.989 -20.918 -20.036 1.00 1.00 C ATOM 864 CD1 TYR A 114 4.247 -20.357 -21.084 1.00 1.00 C ATOM 865 CD2 TYR A 114 6.390 -20.888 -20.077 1.00 1.00 C ATOM 866 CE1 TYR A 114 4.904 -19.767 -22.172 1.00 1.00 C ATOM 867 CE2 TYR A 114 7.047 -20.299 -21.165 1.00 1.00 C ATOM 868 CZ TYR A 114 6.304 -19.738 -22.213 1.00 1.00 C ATOM 869 OH TYR A 114 6.951 -19.157 -23.284 1.00 1.00 O ATOM 0 H TYR A 114 4.816 -19.861 -17.122 1.00 1.00 H new ATOM 0 HA TYR A 114 2.803 -20.011 -19.161 1.00 1.00 H new ATOM 0 HB2 TYR A 114 4.992 -21.794 -18.078 1.00 1.00 H new ATOM 0 HB3 TYR A 114 3.811 -22.489 -19.171 1.00 1.00 H new ATOM 0 HD1 TYR A 114 3.168 -20.379 -21.053 1.00 1.00 H new ATOM 0 HD2 TYR A 114 6.963 -21.319 -19.269 1.00 1.00 H new ATOM 0 HE1 TYR A 114 4.331 -19.335 -22.979 1.00 1.00 H new ATOM 0 HE2 TYR A 114 8.126 -20.277 -21.196 1.00 1.00 H new ATOM 0 HH TYR A 114 7.379 -18.324 -22.995 1.00 1.00 H new ATOM 870 N VAL A 115 0.908 -20.821 -17.607 1.00 1.00 N ATOM 871 CA VAL A 115 -0.223 -21.539 -16.957 1.00 1.00 C ATOM 872 C VAL A 115 -1.093 -22.182 -18.039 1.00 1.00 C ATOM 873 O VAL A 115 -1.452 -21.557 -19.017 1.00 1.00 O ATOM 874 CB VAL A 115 -1.049 -20.549 -16.122 1.00 1.00 C ATOM 875 CG1 VAL A 115 -1.203 -19.232 -16.883 1.00 1.00 C ATOM 876 CG2 VAL A 115 -2.434 -21.138 -15.836 1.00 1.00 C ATOM 0 H VAL A 115 0.677 -19.906 -17.994 1.00 1.00 H new ATOM 0 HA VAL A 115 0.159 -22.317 -16.296 1.00 1.00 H new ATOM 0 HB VAL A 115 -0.534 -20.364 -15.179 1.00 1.00 H new ATOM 0 HG11 VAL A 115 -1.790 -18.533 -16.286 1.00 1.00 H new ATOM 0 HG12 VAL A 115 -0.218 -18.806 -17.076 1.00 1.00 H new ATOM 0 HG13 VAL A 115 -1.711 -19.416 -17.830 1.00 1.00 H new ATOM 0 HG21 VAL A 115 -3.015 -20.431 -15.243 1.00 1.00 H new ATOM 0 HG22 VAL A 115 -2.949 -21.331 -16.777 1.00 1.00 H new ATOM 0 HG23 VAL A 115 -2.325 -22.071 -15.283 1.00 1.00 H new ATOM 877 N GLN A 116 -1.420 -23.433 -17.874 1.00 1.00 N ATOM 878 CA GLN A 116 -2.251 -24.131 -18.893 1.00 1.00 C ATOM 879 C GLN A 116 -3.542 -23.350 -19.133 1.00 1.00 C ATOM 880 O GLN A 116 -4.318 -23.112 -18.229 1.00 1.00 O ATOM 881 CB GLN A 116 -2.583 -25.539 -18.398 1.00 1.00 C ATOM 882 CG GLN A 116 -1.933 -26.572 -19.319 1.00 1.00 C ATOM 883 CD GLN A 116 -2.831 -27.806 -19.419 1.00 1.00 C ATOM 884 OE1 GLN A 116 -3.472 -28.185 -18.459 1.00 1.00 O ATOM 885 NE2 GLN A 116 -2.907 -28.454 -20.550 1.00 1.00 N ATOM 0 H GLN A 116 -1.146 -24.004 -17.074 1.00 1.00 H new ATOM 0 HA GLN A 116 -1.697 -24.196 -19.829 1.00 1.00 H new ATOM 0 HB2 GLN A 116 -2.225 -25.671 -17.377 1.00 1.00 H new ATOM 0 HB3 GLN A 116 -3.663 -25.683 -18.378 1.00 1.00 H new ATOM 0 HG2 GLN A 116 -1.775 -26.143 -20.309 1.00 1.00 H new ATOM 0 HG3 GLN A 116 -0.953 -26.853 -18.933 1.00 1.00 H new ATOM 0 HE21 GLN A 116 -2.369 -28.137 -21.357 1.00 1.00 H new ATOM 0 HE22 GLN A 116 -3.504 -29.277 -20.627 1.00 1.00 H new ATOM 886 N VAL A 117 -3.778 -22.956 -20.353 1.00 1.00 N ATOM 887 CA VAL A 117 -5.019 -22.196 -20.670 1.00 1.00 C ATOM 888 C VAL A 117 -5.946 -23.083 -21.501 1.00 1.00 C ATOM 889 O VAL A 117 -6.424 -22.695 -22.549 1.00 1.00 O ATOM 890 CB VAL A 117 -4.659 -20.938 -21.466 1.00 1.00 C ATOM 891 CG1 VAL A 117 -5.939 -20.248 -21.940 1.00 1.00 C ATOM 892 CG2 VAL A 117 -3.868 -19.981 -20.573 1.00 1.00 C ATOM 0 H VAL A 117 -3.162 -23.128 -21.148 1.00 1.00 H new ATOM 0 HA VAL A 117 -5.520 -21.904 -19.747 1.00 1.00 H new ATOM 0 HB VAL A 117 -4.055 -21.216 -22.330 1.00 1.00 H new ATOM 0 HG11 VAL A 117 -5.682 -19.353 -22.506 1.00 1.00 H new ATOM 0 HG12 VAL A 117 -6.506 -20.929 -22.575 1.00 1.00 H new ATOM 0 HG13 VAL A 117 -6.543 -19.970 -21.077 1.00 1.00 H new ATOM 0 HG21 VAL A 117 -3.611 -19.085 -21.138 1.00 1.00 H new ATOM 0 HG22 VAL A 117 -4.473 -19.704 -19.710 1.00 1.00 H new ATOM 0 HG23 VAL A 117 -2.955 -20.471 -20.234 1.00 1.00 H new ATOM 893 N GLY A 118 -6.196 -24.279 -21.044 1.00 1.00 N ATOM 894 CA GLY A 118 -7.084 -25.199 -21.807 1.00 1.00 C ATOM 895 C GLY A 118 -6.230 -26.264 -22.496 1.00 1.00 C ATOM 896 O GLY A 118 -6.351 -27.442 -22.226 1.00 1.00 O ATOM 0 H GLY A 118 -5.823 -24.659 -20.174 1.00 1.00 H new ATOM 0 HA2 GLY A 118 -7.803 -25.670 -21.136 1.00 1.00 H new ATOM 0 HA3 GLY A 118 -7.657 -24.640 -22.547 1.00 1.00 H new ATOM 897 N LEU A 119 -5.366 -25.859 -23.387 1.00 1.00 N ATOM 898 CA LEU A 119 -4.506 -26.853 -24.092 1.00 1.00 C ATOM 899 C LEU A 119 -3.147 -26.235 -24.457 1.00 1.00 C ATOM 900 O LEU A 119 -2.333 -26.860 -25.107 1.00 1.00 O ATOM 901 CB LEU A 119 -5.232 -27.351 -25.352 1.00 1.00 C ATOM 902 CG LEU A 119 -5.175 -26.304 -26.469 1.00 1.00 C ATOM 903 CD1 LEU A 119 -5.417 -24.905 -25.898 1.00 1.00 C ATOM 904 CD2 LEU A 119 -3.803 -26.358 -27.137 1.00 1.00 C ATOM 0 H LEU A 119 -5.218 -24.886 -23.657 1.00 1.00 H new ATOM 0 HA LEU A 119 -4.319 -27.698 -23.429 1.00 1.00 H new ATOM 0 HB2 LEU A 119 -4.776 -28.280 -25.696 1.00 1.00 H new ATOM 0 HB3 LEU A 119 -6.271 -27.576 -25.112 1.00 1.00 H new ATOM 0 HG LEU A 119 -5.951 -26.520 -27.203 1.00 1.00 H new ATOM 0 HD11 LEU A 119 -5.374 -24.171 -26.703 1.00 1.00 H new ATOM 0 HD12 LEU A 119 -6.399 -24.869 -25.427 1.00 1.00 H new ATOM 0 HD13 LEU A 119 -4.651 -24.677 -25.157 1.00 1.00 H new ATOM 0 HD21 LEU A 119 -3.756 -25.615 -27.933 1.00 1.00 H new ATOM 0 HD22 LEU A 119 -3.030 -26.147 -26.398 1.00 1.00 H new ATOM 0 HD23 LEU A 119 -3.642 -27.351 -27.557 1.00 1.00 H new ATOM 905 N LYS A 120 -2.884 -25.023 -24.043 1.00 1.00 N ATOM 906 CA LYS A 120 -1.573 -24.394 -24.374 1.00 1.00 C ATOM 907 C LYS A 120 -1.133 -23.486 -23.218 1.00 1.00 C ATOM 908 O LYS A 120 -1.742 -22.461 -22.982 1.00 1.00 O ATOM 909 CB LYS A 120 -1.720 -23.557 -25.646 1.00 1.00 C ATOM 910 CG LYS A 120 -2.925 -22.623 -25.507 1.00 1.00 C ATOM 911 CD LYS A 120 -2.438 -21.190 -25.285 1.00 1.00 C ATOM 912 CE LYS A 120 -3.178 -20.247 -26.233 1.00 1.00 C ATOM 913 NZ LYS A 120 -2.318 -19.954 -27.414 1.00 1.00 N ATOM 0 H LYS A 120 -3.518 -24.444 -23.492 1.00 1.00 H new ATOM 0 HA LYS A 120 -0.826 -25.172 -24.530 1.00 1.00 H new ATOM 0 HB2 LYS A 120 -0.814 -22.976 -25.818 1.00 1.00 H new ATOM 0 HB3 LYS A 120 -1.850 -24.209 -26.510 1.00 1.00 H new ATOM 0 HG2 LYS A 120 -3.543 -22.673 -26.404 1.00 1.00 H new ATOM 0 HG3 LYS A 120 -3.549 -22.940 -24.671 1.00 1.00 H new ATOM 0 HD2 LYS A 120 -2.611 -20.892 -24.251 1.00 1.00 H new ATOM 0 HD3 LYS A 120 -1.364 -21.129 -25.459 1.00 1.00 H new ATOM 0 HE2 LYS A 120 -4.115 -20.700 -26.556 1.00 1.00 H new ATOM 0 HE3 LYS A 120 -3.433 -19.321 -25.717 1.00 1.00 H new ATOM 0 HZ1 LYS A 120 -2.821 -19.312 -28.059 1.00 1.00 H new ATOM 0 HZ2 LYS A 120 -1.435 -19.504 -27.098 1.00 1.00 H new ATOM 0 HZ3 LYS A 120 -2.096 -20.841 -27.911 1.00 1.00 H new ATOM 914 N PRO A 121 -0.089 -23.880 -22.528 1.00 1.00 N ATOM 915 CA PRO A 121 0.423 -23.101 -21.410 1.00 1.00 C ATOM 916 C PRO A 121 0.642 -21.649 -21.843 1.00 1.00 C ATOM 917 O PRO A 121 1.648 -21.313 -22.435 1.00 1.00 O ATOM 918 CB PRO A 121 1.751 -23.760 -21.055 1.00 1.00 C ATOM 919 CG PRO A 121 1.591 -25.220 -21.586 1.00 1.00 C ATOM 920 CD PRO A 121 0.644 -25.121 -22.817 1.00 1.00 C ATOM 0 HA PRO A 121 -0.263 -23.081 -20.563 1.00 1.00 H new ATOM 0 HB2 PRO A 121 2.590 -23.251 -21.529 1.00 1.00 H new ATOM 0 HB3 PRO A 121 1.933 -23.742 -19.980 1.00 1.00 H new ATOM 0 HG2 PRO A 121 2.556 -25.642 -21.868 1.00 1.00 H new ATOM 0 HG3 PRO A 121 1.170 -25.871 -20.820 1.00 1.00 H new ATOM 0 HD2 PRO A 121 1.196 -25.062 -23.755 1.00 1.00 H new ATOM 0 HD3 PRO A 121 -0.021 -25.981 -22.893 1.00 1.00 H new ATOM 921 N LEU A 122 -0.293 -20.787 -21.554 1.00 1.00 N ATOM 922 CA LEU A 122 -0.137 -19.360 -21.951 1.00 1.00 C ATOM 923 C LEU A 122 0.458 -18.572 -20.783 1.00 1.00 C ATOM 924 O LEU A 122 0.125 -18.798 -19.638 1.00 1.00 O ATOM 925 CB LEU A 122 -1.508 -18.784 -22.314 1.00 1.00 C ATOM 926 CG LEU A 122 -1.470 -18.228 -23.739 1.00 1.00 C ATOM 927 CD1 LEU A 122 -2.724 -17.389 -23.993 1.00 1.00 C ATOM 928 CD2 LEU A 122 -0.229 -17.350 -23.912 1.00 1.00 C ATOM 0 H LEU A 122 -1.158 -21.009 -21.060 1.00 1.00 H new ATOM 0 HA LEU A 122 0.527 -19.288 -22.812 1.00 1.00 H new ATOM 0 HB2 LEU A 122 -2.271 -19.558 -22.235 1.00 1.00 H new ATOM 0 HB3 LEU A 122 -1.780 -17.995 -21.612 1.00 1.00 H new ATOM 0 HG LEU A 122 -1.434 -19.054 -24.449 1.00 1.00 H new ATOM 0 HD11 LEU A 122 -2.697 -16.993 -25.008 1.00 1.00 H new ATOM 0 HD12 LEU A 122 -3.610 -18.012 -23.870 1.00 1.00 H new ATOM 0 HD13 LEU A 122 -2.760 -16.563 -23.282 1.00 1.00 H new ATOM 0 HD21 LEU A 122 -0.202 -16.954 -24.927 1.00 1.00 H new ATOM 0 HD22 LEU A 122 -0.265 -16.524 -23.201 1.00 1.00 H new ATOM 0 HD23 LEU A 122 0.666 -17.945 -23.731 1.00 1.00 H new ATOM 929 N VAL A 123 1.341 -17.650 -21.060 1.00 1.00 N ATOM 930 CA VAL A 123 1.952 -16.856 -19.957 1.00 1.00 C ATOM 931 C VAL A 123 0.917 -15.870 -19.408 1.00 1.00 C ATOM 932 O VAL A 123 0.425 -15.014 -20.116 1.00 1.00 O ATOM 933 CB VAL A 123 3.173 -16.092 -20.484 1.00 1.00 C ATOM 934 CG1 VAL A 123 3.990 -17.006 -21.399 1.00 1.00 C ATOM 935 CG2 VAL A 123 2.717 -14.861 -21.272 1.00 1.00 C ATOM 0 H VAL A 123 1.664 -17.414 -21.998 1.00 1.00 H new ATOM 0 HA VAL A 123 2.271 -17.526 -19.159 1.00 1.00 H new ATOM 0 HB VAL A 123 3.786 -15.773 -19.641 1.00 1.00 H new ATOM 0 HG11 VAL A 123 4.858 -16.464 -21.774 1.00 1.00 H new ATOM 0 HG12 VAL A 123 4.322 -17.879 -20.838 1.00 1.00 H new ATOM 0 HG13 VAL A 123 3.373 -17.327 -22.238 1.00 1.00 H new ATOM 0 HG21 VAL A 123 3.589 -14.323 -21.643 1.00 1.00 H new ATOM 0 HG22 VAL A 123 2.099 -15.176 -22.113 1.00 1.00 H new ATOM 0 HG23 VAL A 123 2.137 -14.207 -20.621 1.00 1.00 H new ATOM 936 N GLN A 124 0.583 -15.984 -18.153 1.00 1.00 N ATOM 937 CA GLN A 124 -0.420 -15.054 -17.565 1.00 1.00 C ATOM 938 C GLN A 124 0.220 -14.277 -16.415 1.00 1.00 C ATOM 939 O GLN A 124 0.776 -14.852 -15.501 1.00 1.00 O ATOM 940 CB GLN A 124 -1.610 -15.856 -17.034 1.00 1.00 C ATOM 941 CG GLN A 124 -2.745 -15.826 -18.059 1.00 1.00 C ATOM 942 CD GLN A 124 -2.931 -17.221 -18.656 1.00 1.00 C ATOM 943 OE1 GLN A 124 -3.913 -17.885 -18.387 1.00 1.00 O ATOM 944 NE2 GLN A 124 -2.023 -17.698 -19.461 1.00 1.00 N ATOM 0 H GLN A 124 0.961 -16.680 -17.510 1.00 1.00 H new ATOM 0 HA GLN A 124 -0.762 -14.358 -18.331 1.00 1.00 H new ATOM 0 HB2 GLN A 124 -1.310 -16.885 -16.838 1.00 1.00 H new ATOM 0 HB3 GLN A 124 -1.950 -15.438 -16.087 1.00 1.00 H new ATOM 0 HG2 GLN A 124 -3.669 -15.496 -17.584 1.00 1.00 H new ATOM 0 HG3 GLN A 124 -2.518 -15.109 -18.848 1.00 1.00 H new ATOM 0 HE21 GLN A 124 -1.199 -17.141 -19.687 1.00 1.00 H new ATOM 0 HE22 GLN A 124 -2.137 -18.628 -19.865 1.00 1.00 H new ATOM 945 N GLU A 125 0.144 -12.974 -16.451 1.00 1.00 N ATOM 946 CA GLU A 125 0.743 -12.162 -15.355 1.00 1.00 C ATOM 947 C GLU A 125 0.234 -12.687 -14.010 1.00 1.00 C ATOM 948 O GLU A 125 -0.786 -12.251 -13.514 1.00 1.00 O ATOM 949 CB GLU A 125 0.326 -10.699 -15.520 1.00 1.00 C ATOM 950 CG GLU A 125 0.636 -10.236 -16.945 1.00 1.00 C ATOM 951 CD GLU A 125 0.410 -8.726 -17.051 1.00 1.00 C ATOM 952 OE1 GLU A 125 -0.596 -8.261 -16.543 1.00 1.00 O ATOM 953 OE2 GLU A 125 1.248 -8.062 -17.639 1.00 1.00 O ATOM 0 H GLU A 125 -0.307 -12.438 -17.192 1.00 1.00 H new ATOM 0 HA GLU A 125 1.830 -12.235 -15.393 1.00 1.00 H new ATOM 0 HB2 GLU A 125 -0.739 -10.588 -15.314 1.00 1.00 H new ATOM 0 HB3 GLU A 125 0.857 -10.075 -14.800 1.00 1.00 H new ATOM 0 HG2 GLU A 125 1.667 -10.479 -17.202 1.00 1.00 H new ATOM 0 HG3 GLU A 125 -0.002 -10.761 -17.656 1.00 1.00 H new ATOM 954 N CYS A 126 0.927 -13.627 -13.423 1.00 1.00 N ATOM 955 CA CYS A 126 0.474 -14.188 -12.117 1.00 1.00 C ATOM 956 C CYS A 126 -0.035 -13.060 -11.216 1.00 1.00 C ATOM 957 O CYS A 126 0.730 -12.374 -10.569 1.00 1.00 O ATOM 958 CB CYS A 126 1.643 -14.901 -11.432 1.00 1.00 C ATOM 959 SG CYS A 126 2.808 -13.675 -10.785 1.00 1.00 S ATOM 0 H CYS A 126 1.788 -14.031 -13.792 1.00 1.00 H new ATOM 0 HA CYS A 126 -0.333 -14.899 -12.293 1.00 1.00 H new ATOM 0 HB2 CYS A 126 1.274 -15.530 -10.622 1.00 1.00 H new ATOM 0 HB3 CYS A 126 2.147 -15.558 -12.141 1.00 1.00 H new ATOM 960 N MET A 127 -1.326 -12.864 -11.173 1.00 1.00 N ATOM 961 CA MET A 127 -1.889 -11.781 -10.318 1.00 1.00 C ATOM 962 C MET A 127 -1.198 -11.796 -8.953 1.00 1.00 C ATOM 963 O MET A 127 -1.383 -12.699 -8.162 1.00 1.00 O ATOM 964 CB MET A 127 -3.391 -12.008 -10.131 1.00 1.00 C ATOM 965 CG MET A 127 -4.166 -11.156 -11.137 1.00 1.00 C ATOM 966 SD MET A 127 -4.992 -9.799 -10.269 1.00 1.00 S ATOM 967 CE MET A 127 -6.382 -10.758 -9.617 1.00 1.00 C ATOM 0 H MET A 127 -2.014 -13.408 -11.693 1.00 1.00 H new ATOM 0 HA MET A 127 -1.723 -10.817 -10.798 1.00 1.00 H new ATOM 0 HB2 MET A 127 -3.630 -13.062 -10.271 1.00 1.00 H new ATOM 0 HB3 MET A 127 -3.685 -11.747 -9.114 1.00 1.00 H new ATOM 0 HG2 MET A 127 -3.488 -10.759 -11.892 1.00 1.00 H new ATOM 0 HG3 MET A 127 -4.901 -11.769 -11.659 1.00 1.00 H new ATOM 0 HE1 MET A 127 -7.034 -10.105 -9.036 1.00 1.00 H new ATOM 0 HE2 MET A 127 -6.945 -11.191 -10.444 1.00 1.00 H new ATOM 0 HE3 MET A 127 -6.005 -11.556 -8.978 1.00 1.00 H new ATOM 968 N VAL A 128 -0.404 -10.800 -8.670 1.00 1.00 N ATOM 969 CA VAL A 128 0.296 -10.756 -7.356 1.00 1.00 C ATOM 970 C VAL A 128 -0.194 -9.546 -6.559 1.00 1.00 C ATOM 971 O VAL A 128 0.530 -8.975 -5.769 1.00 1.00 O ATOM 972 CB VAL A 128 1.804 -10.642 -7.585 1.00 1.00 C ATOM 973 CG1 VAL A 128 2.111 -9.343 -8.332 1.00 1.00 C ATOM 974 CG2 VAL A 128 2.526 -10.635 -6.235 1.00 1.00 C ATOM 0 H VAL A 128 -0.210 -10.015 -9.292 1.00 1.00 H new ATOM 0 HA VAL A 128 0.083 -11.668 -6.799 1.00 1.00 H new ATOM 0 HB VAL A 128 2.146 -11.491 -8.177 1.00 1.00 H new ATOM 0 HG11 VAL A 128 3.186 -9.262 -8.495 1.00 1.00 H new ATOM 0 HG12 VAL A 128 1.597 -9.346 -9.293 1.00 1.00 H new ATOM 0 HG13 VAL A 128 1.769 -8.494 -7.741 1.00 1.00 H new ATOM 0 HG21 VAL A 128 3.601 -10.554 -6.398 1.00 1.00 H new ATOM 0 HG22 VAL A 128 2.183 -9.786 -5.644 1.00 1.00 H new ATOM 0 HG23 VAL A 128 2.309 -11.560 -5.701 1.00 1.00 H new ATOM 975 N HIS A 129 -1.422 -9.150 -6.762 1.00 1.00 N ATOM 976 CA HIS A 129 -1.960 -7.977 -6.018 1.00 1.00 C ATOM 977 C HIS A 129 -2.532 -8.442 -4.677 1.00 1.00 C ATOM 978 O HIS A 129 -2.839 -9.602 -4.491 1.00 1.00 O ATOM 979 CB HIS A 129 -3.066 -7.315 -6.842 1.00 1.00 C ATOM 980 CG HIS A 129 -3.489 -6.034 -6.179 1.00 1.00 C ATOM 981 ND1 HIS A 129 -4.805 -5.788 -5.819 1.00 1.00 N ATOM 982 CD2 HIS A 129 -2.783 -4.917 -5.806 1.00 1.00 C ATOM 983 CE1 HIS A 129 -4.849 -4.566 -5.256 1.00 1.00 C ATOM 984 NE2 HIS A 129 -3.644 -3.992 -5.223 1.00 1.00 N ATOM 0 H HIS A 129 -2.075 -9.589 -7.411 1.00 1.00 H new ATOM 0 HA HIS A 129 -1.159 -7.259 -5.842 1.00 1.00 H new ATOM 0 HB2 HIS A 129 -2.710 -7.113 -7.852 1.00 1.00 H new ATOM 0 HB3 HIS A 129 -3.918 -7.988 -6.933 1.00 1.00 H new ATOM 0 HD2 HIS A 129 -1.721 -4.777 -5.944 1.00 1.00 H new ATOM 0 HE1 HIS A 129 -5.750 -4.106 -4.877 1.00 1.00 H new ATOM 0 HE2 HIS A 129 -3.406 -3.073 -4.850 1.00 1.00 H new